CAS 933-20-0|4,6-Dichloro-1,3,5-triazin-2-amine|dichloro-1,3,5-triazin-2-amine|dichloro-1,3,5-triazin-2-amine|2-Amino-4,6-dichloro-1,3,5-triazine|2-氨基-4,6-二氯-1,3,5-三嗪|2-Amino-4,6-dichlorotriaz...

General Information

Structure

Molecular Formula

C₃H₂Cl₂N₄

Molecular Mass

164.98078

Exact Mass

163.96565144

Charge

InChI

InChI=1S/C3H2Cl2N4/c4-1-7-2(5)9-3(6)8-1/h(H2,6,7,8,9)

InChIKey

MCLXKFUCPVGZEN-UHFFFAOYSA-N

Canonic Smiles

Nc1nc(Cl)nc(n1)Cl

Isomeric Smiles

n1c(nc(nc1Cl)N)Cl

Calculated Properties

JChem

Acid pKa

14.983067

H Acceptors

H Donor

LogD (pH = 5.5)

1.5226927

LogD (pH = 7.4)

1.5226928

Log P

1.5226928

Molar Refractivity

38.1652

Polarizability

13.046747

Polar Surface Area

64.69

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4,6-Dichloro-1,3,5-triazin-2-amine2-Amino-4,6-dichloro-1,3,5-triazine2-氨基-4,6-二氯-1,3,5-三嗪2-Amino-4,6-dichlorotriazine2-AMino-4,6-dichloro-1,3,5-triazineNSC 719882,4-Dichloro-6-amino-1,3,5-triazineAminodichloro-s-triazine2-Amino-4,6-dichloro-s-triazines-DichloroaminotriazineNSC 267458

IUPAC name

dichloro-1,3,5-triazin-2-amine

IUPAC Traditional name

dichloro-1,3,5-triazin-2-amine

Names and Identifiers

Registration numbers

Beilstein Number

124266

MDL Number

MFCD00078331

CAS Number

933-20-0