1,2,4-triazole-3,4-diamine

C2H5N5 — CID 567144

IUPAC1,2,4-triazole-3,4-diamine
SMILESNc1nncn1N
InChIInChI=1S/C2H5N5/c3-2-6-5-1-7(2)4/h1H,4H2,(H2,3,6)
InChIKeyVVICLQXCPOEFTM-UHFFFAOYSA-N
MW99.10 g/mol
LogP-1.43
Rot. Bonds

About 1,2,4-triazole-3,4-diamine

1,2,4-triazole-3,4-diamine (PubChem CID 567144) has the molecular formula C2H5N5 and a molecular weight of 99.10 g/mol. Its IUPAC name is 1,2,4-triazole-3,4-diamine.

Molecular Properties

Compound Name1,2,4-triazole-3,4-diamine
PubChem CID567144
Molecular FormulaC2H5N5
Molecular Weight99.10 g/mol
Exact Mass99.05
IUPAC Name1,2,4-triazole-3,4-diamine
SMILESNc1nncn1N
InChIInChI=1S/C2H5N5/c3-2-6-5-1-7(2)4/h1H,4H2,(H2,3,6)
InChIKeyVVICLQXCPOEFTM-UHFFFAOYSA-N
XLogP-1.43
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.10
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,2,4-triazole-3,4-diamine 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 1,2,4-triazole-3,4-diamine?
The IUPAC name of 1,2,4-triazole-3,4-diamine (CID 567144) is 1,2,4-triazole-3,4-diamine.
What is the SMILES notation for 1,2,4-triazole-3,4-diamine?
The canonical SMILES for 1,2,4-triazole-3,4-diamine is Nc1nncn1N.
What is the InChIKey of 1,2,4-triazole-3,4-diamine?
The InChIKey is VVICLQXCPOEFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N5/c3-2-6-5-1-7(2)4/h1H,4H2,(H2,3,6).
What are the key properties of 1,2,4-triazole-3,4-diamine?
1,2,4-triazole-3,4-diamine has a molecular weight of 99.10 g/mol, XLogP of -1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-triazole-3,4-diamine is sourced from PubChem (CID 567144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).