1-chlorotriazole

C2H2ClN3 — CID 22328033

IUPAC1-chlorotriazole
SMILESCln1ccnn1
InChIInChI=1S/C2H2ClN3/c3-6-2-1-4-5-6/h1-2H
InChIKeyMULNCXLCQBBVSV-UHFFFAOYSA-N
MW103.51 g/mol
LogP0.28
Rot. Bonds

About 1-chlorotriazole

1-chlorotriazole (PubChem CID 22328033) has the molecular formula C2H2ClN3 and a molecular weight of 103.51 g/mol. Its IUPAC name is 1-chlorotriazole.

Molecular Properties

Compound Name1-chlorotriazole
PubChem CID22328033
Molecular FormulaC2H2ClN3
Molecular Weight103.51 g/mol
Exact Mass102.99
IUPAC Name1-chlorotriazole
SMILESCln1ccnn1
InChIInChI=1S/C2H2ClN3/c3-6-2-1-4-5-6/h1-2H
InChIKeyMULNCXLCQBBVSV-UHFFFAOYSA-N
XLogP0.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.51
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-chlorotriazole 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-chlorotriazole?
The IUPAC name of 1-chlorotriazole (CID 22328033) is 1-chlorotriazole.
What is the SMILES notation for 1-chlorotriazole?
The canonical SMILES for 1-chlorotriazole is Cln1ccnn1.
What is the InChIKey of 1-chlorotriazole?
The InChIKey is MULNCXLCQBBVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2ClN3/c3-6-2-1-4-5-6/h1-2H.
What are the key properties of 1-chlorotriazole?
1-chlorotriazole has a molecular weight of 103.51 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorotriazole is sourced from PubChem (CID 22328033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).