(1-methyltriazol-4-yl)methanamine;hydrochloride

C4H9ClN4 — CID 69061589

IUPAC(1-methyltriazol-4-yl)methanamine;hydrochloride
SMILESCl.Cn1cc(CN)nn1
InChIInChI=1S/C4H8N4.ClH/c1-8-3-4(2-5)6-7-8;/h3H,2,5H2,1H3;1H
InChIKeySJIXCYWIWORVHE-UHFFFAOYSA-N
MW148.60 g/mol
LogP-0.30
Rot. Bonds1

About (1-methyltriazol-4-yl)methanamine;hydrochloride

(1-methyltriazol-4-yl)methanamine;hydrochloride (PubChem CID 69061589) has the molecular formula C4H9ClN4 and a molecular weight of 148.60 g/mol. Its IUPAC name is (1-methyltriazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-methyltriazol-4-yl)methanamine;hydrochloride
PubChem CID69061589
Molecular FormulaC4H9ClN4
Molecular Weight148.60 g/mol
Exact Mass148.05
IUPAC Name(1-methyltriazol-4-yl)methanamine;hydrochloride
SMILESCl.Cn1cc(CN)nn1
InChIInChI=1S/C4H8N4.ClH/c1-8-3-4(2-5)6-7-8;/h3H,2,5H2,1H3;1H
InChIKeySJIXCYWIWORVHE-UHFFFAOYSA-N
XLogP-0.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.60
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-methyltriazol-4-yl)methanamine;hydrochloride 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-methyltriazol-4-yl)methanamine;hydrochloride?
The IUPAC name of (1-methyltriazol-4-yl)methanamine;hydrochloride (CID 69061589) is (1-methyltriazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (1-methyltriazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for (1-methyltriazol-4-yl)methanamine;hydrochloride is Cl.Cn1cc(CN)nn1.
What is the InChIKey of (1-methyltriazol-4-yl)methanamine;hydrochloride?
The InChIKey is SJIXCYWIWORVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.ClH/c1-8-3-4(2-5)6-7-8;/h3H,2,5H2,1H3;1H.
What are the key properties of (1-methyltriazol-4-yl)methanamine;hydrochloride?
(1-methyltriazol-4-yl)methanamine;hydrochloride has a molecular weight of 148.60 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyltriazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 69061589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).