CAS 25545-88-4|CAS 584-13-4|4-Amino-4H-1,2,4-triazole|4H-1,2,4-triazol-4-amine|4H-1,2,4-triazole, 4-amino-|4-AMINO-1,2,4-TRIAZOLE HYDROCHLORIDE|4H-1,2,4-Triazol-4-amine|4H-1,2,4-triazol-4-amine|4H-1...

General Information

Structure

Molecular Formula

C₂H₄N₄

Molecular Mass

84.07996

Exact Mass

84.04359615

Charge

InChI

InChI=1S/C2H4N4/c3-6-1-4-5-2-6/h1-2H,3H2

InChIKey

FMCUPJKTGNBGEC-UHFFFAOYSA-N

Canonic Smiles

Nn1cnnc1

Isomeric Smiles

n1ncn(c1)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.0713735

LogD (pH = 7.4)

-2.0712762

Log P

-2.071275

Molar Refractivity

25.1238

Polarizability

7.4687333

Polar Surface Area

56.73

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4-Amino-4H-1,2,4-triazole4-AMINO-1,2,4-TRIAZOLE HYDROCHLORIDE4H-1,2,4-Triazol-4-amine4H-1,2,4-Triazol-4-amine4-氨基-4H-1,2,4-三唑4-Amino-4H-1,2,4-triazole4-氨基-1,2,4-三氮唑1-氨基-1,3,4-三唑1-Amino-1,3,4-triazole4-氨基-4H-1,2,4-三氮唑4-氨基-1,2,4-三唑4-Amino-1,2,4-triazole

IUPAC name

4H-1,2,4-triazol-4-amine

IUPAC Traditional name

4H-1,2,4-triazole, 4-amino- 4H-1,2,4-triazol-4-amine

Names and Identifiers

Registration numbers

CAS Number

25545-88-4584-13-4

MDL Number

MFCD00003099

PubChem SID

1620355882484634924891209