N-(4-chlorophenyl)-2H-triazol-4-amine

C8H7ClN4 — CID 75202656

IUPACN-(4-chlorophenyl)-2H-triazol-4-amine
SMILESClc1ccc(Nc2cn[nH]n2)cc1
InChIInChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)11-8-5-10-13-12-8/h1-5H,(H2,10,11,12,13)
InChIKeyIUTZKZLVPUPHDA-UHFFFAOYSA-N
MW194.63 g/mol
LogP2.20
Rot. Bonds2

About N-(4-chlorophenyl)-2H-triazol-4-amine

N-(4-chlorophenyl)-2H-triazol-4-amine (PubChem CID 75202656) has the molecular formula C8H7ClN4 and a molecular weight of 194.63 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2H-triazol-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2H-triazol-4-amine
PubChem CID75202656
Molecular FormulaC8H7ClN4
Molecular Weight194.63 g/mol
Exact Mass194.04
IUPAC NameN-(4-chlorophenyl)-2H-triazol-4-amine
SMILESClc1ccc(Nc2cn[nH]n2)cc1
InChIInChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)11-8-5-10-13-12-8/h1-5H,(H2,10,11,12,13)
InChIKeyIUTZKZLVPUPHDA-UHFFFAOYSA-N
XLogP2.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.63
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-2H-triazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2H-triazol-4-amine?
The IUPAC name of N-(4-chlorophenyl)-2H-triazol-4-amine (CID 75202656) is N-(4-chlorophenyl)-2H-triazol-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-2H-triazol-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-2H-triazol-4-amine is Clc1ccc(Nc2cn[nH]n2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2H-triazol-4-amine?
The InChIKey is IUTZKZLVPUPHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)11-8-5-10-13-12-8/h1-5H,(H2,10,11,12,13).
What are the key properties of N-(4-chlorophenyl)-2H-triazol-4-amine?
N-(4-chlorophenyl)-2H-triazol-4-amine has a molecular weight of 194.63 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2H-triazol-4-amine is sourced from PubChem (CID 75202656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).