2H-triazole;hydrobromide

C2H4BrN3 — CID 66801332

IUPAC2H-triazole;hydrobromide
SMILESBr.c1cn[nH]n1
InChIInChI=1S/C2H3N3.BrH/c1-2-4-5-3-1;/h1-2H,(H,3,4,5);1H
InChIKeySRPWZRAPMJYAAK-UHFFFAOYSA-N
MW149.98 g/mol
LogP0.38
Rot. Bonds

About 2H-triazole;hydrobromide

2H-triazole;hydrobromide (PubChem CID 66801332) has the molecular formula C2H4BrN3 and a molecular weight of 149.98 g/mol. Its IUPAC name is 2H-triazole;hydrobromide.

Molecular Properties

Compound Name2H-triazole;hydrobromide
PubChem CID66801332
Molecular FormulaC2H4BrN3
Molecular Weight149.98 g/mol
Exact Mass148.96
IUPAC Name2H-triazole;hydrobromide
SMILESBr.c1cn[nH]n1
InChIInChI=1S/C2H3N3.BrH/c1-2-4-5-3-1;/h1-2H,(H,3,4,5);1H
InChIKeySRPWZRAPMJYAAK-UHFFFAOYSA-N
XLogP0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.98
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2H-triazole;hydrobromide 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 2H-triazole;hydrobromide?
The IUPAC name of 2H-triazole;hydrobromide (CID 66801332) is 2H-triazole;hydrobromide.
What is the SMILES notation for 2H-triazole;hydrobromide?
The canonical SMILES for 2H-triazole;hydrobromide is Br.c1cn[nH]n1.
What is the InChIKey of 2H-triazole;hydrobromide?
The InChIKey is SRPWZRAPMJYAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3.BrH/c1-2-4-5-3-1;/h1-2H,(H,3,4,5);1H.
What are the key properties of 2H-triazole;hydrobromide?
2H-triazole;hydrobromide has a molecular weight of 149.98 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazole;hydrobromide is sourced from PubChem (CID 66801332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).