2H-triazole

C4H6N6 — CID 19710869

IUPAC2H-triazole
SMILESc1cn[nH]n1.c1cn[nH]n1
InChIInChI=1S/2C2H3N3/c2*1-2-4-5-3-1/h2*1-2H,(H,3,4,5)
InChIKeyULMNNWOODRUGCA-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.39
Rot. Bonds

About 2H-triazole

2H-triazole (PubChem CID 19710869) has the molecular formula C4H6N6 and a molecular weight of 138.13 g/mol. Its IUPAC name is 2H-triazole.

Molecular Properties

Compound Name2H-triazole
PubChem CID19710869
Molecular FormulaC4H6N6
Molecular Weight138.13 g/mol
Exact Mass138.07
IUPAC Name2H-triazole
SMILESc1cn[nH]n1.c1cn[nH]n1
InChIInChI=1S/2C2H3N3/c2*1-2-4-5-3-1/h2*1-2H,(H,3,4,5)
InChIKeyULMNNWOODRUGCA-UHFFFAOYSA-N
XLogP-0.39
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2H-triazole 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?
The IUPAC name of 2H-triazole (CID 19710869) is 2H-triazole.
What is the SMILES notation for 2H-triazole?
The canonical SMILES for 2H-triazole is c1cn[nH]n1.c1cn[nH]n1.
What is the InChIKey of 2H-triazole?
The InChIKey is ULMNNWOODRUGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H3N3/c2*1-2-4-5-3-1/h2*1-2H,(H,3,4,5).
What are the key properties of 2H-triazole?
2H-triazole has a molecular weight of 138.13 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazole is sourced from PubChem (CID 19710869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).