CAS 3397-62-4|6-chloro-1,3,5-triazine-2,4-diamine|2-chloro-4,6-diaminotriazine|6-Chloro-1,3,5-triazine-2,4-diamine|Atrazine-desethyl-desisopropyl|Desethyldesisopropyl Atrazine|2-Chloro-1,3,5-triazin...

General Information

Structure

Molecular Formula

C₃H₄ClN₅

Molecular Mass

145.55036

Exact Mass

145.01552283

Charge

InChI

InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)

InChIKey

FVFVNNKYKYZTJU-UHFFFAOYSA-N

Canonic Smiles

Nc1nc(N)nc(n1)Cl

Isomeric Smiles

c1(nc(nc(n1)N)N)Cl

Calculated Properties

JChem

Acid pKa

15.264068

H Acceptors

H Donor

LogD (pH = 5.5)

0.4588164

LogD (pH = 7.4)

0.4639368

Log P

0.4640025

Molar Refractivity

37.313

Polarizability

12.109321

Polar Surface Area

90.71

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

6-chloro-1,3,5-triazine-2,4-diamine

IUPAC Traditional name

2-chloro-4,6-diaminotriazine

Synonyms

6-Chloro-1,3,5-triazine-2,4-diamineAtrazine-desethyl-desisopropylDesethyldesisopropyl Atrazine2-Chloro-1,3,5-triazine-4,6-diamineDidealkylatrazineNSC 680830DeethyldeisopropylatrazineAtraModDeisopropyldeethyl Atrazine2,4-Diamino-6-chloro-s-triazine2-Chloro-4,6-bisamino-s-triazineDACT6-氯-2,4-二氨基-1,3,5-三嗪2,4-Diamino-6-chloro-1,3,5-triazine2,4-Diamino-6-chlorotriazineChloroammeline2-Chloro-4,6-bis(amino)-1,3,5-triazineNSC 79656-Chloro-2,4-diamino-1,3,5-triazine2-Chloro-4,6-diamino-1,3,5-triazine2-氯-4,6-二氨-1,3,5-三嗪Desethyl-desisopropyl-atrazine6-氯-2,4-氨基-1,3,5-三嗪去乙基-去异丙基阿特拉津溶液Atrazine-desethyl-desisopropyl solution2-氯-4,6-二氨-1,3,5-三嗪Atrazine-desethyl-desisopropyl2-氯-4,6-二氨基-1,3,5-三嗪

Names and Identifiers

Registration numbers

EC Number

CAS Number

Beilstein Number

MDL Number

PubChem SID

24862687248973912486274916100042424892607