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

C4H9ClN4 — CID 55284238

IUPAC(2-methyltriazol-4-yl)methanamine;hydrochloride
SMILESCl.Cn1ncc(CN)n1
InChIInChI=1S/C4H8N4.ClH/c1-8-6-3-4(2-5)7-8;/h3H,2,5H2,1H3;1H
InChIKeyUHNCWRSJVWJUDE-UHFFFAOYSA-N
MW148.60 g/mol
LogP-0.30
Rot. Bonds1

About (2-methyltriazol-4-yl)methanamine;hydrochloride

(2-methyltriazol-4-yl)methanamine;hydrochloride (PubChem CID 55284238) has the molecular formula C4H9ClN4 and a molecular weight of 148.60 g/mol. Its IUPAC name is (2-methyltriazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-methyltriazol-4-yl)methanamine;hydrochloride
PubChem CID55284238
Molecular FormulaC4H9ClN4
Molecular Weight148.60 g/mol
Exact Mass148.05
IUPAC Name(2-methyltriazol-4-yl)methanamine;hydrochloride
SMILESCl.Cn1ncc(CN)n1
InChIInChI=1S/C4H8N4.ClH/c1-8-6-3-4(2-5)7-8;/h3H,2,5H2,1H3;1H
InChIKeyUHNCWRSJVWJUDE-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

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Frequently Asked Questions

What is the IUPAC name of (2-methyltriazol-4-yl)methanamine;hydrochloride?
The IUPAC name of (2-methyltriazol-4-yl)methanamine;hydrochloride (CID 55284238) is (2-methyltriazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (2-methyltriazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for (2-methyltriazol-4-yl)methanamine;hydrochloride is Cl.Cn1ncc(CN)n1.
What is the InChIKey of (2-methyltriazol-4-yl)methanamine;hydrochloride?
The InChIKey is UHNCWRSJVWJUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.ClH/c1-8-6-3-4(2-5)7-8;/h3H,2,5H2,1H3;1H.
What are the key properties of (2-methyltriazol-4-yl)methanamine;hydrochloride?
(2-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 (2-methyltriazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 55284238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).