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

C9H11ClN4 — CID 71755771

IUPAC(1-phenyltriazol-4-yl)methanamine;hydrochloride
SMILESCl.NCc1cn(-c2ccccc2)nn1
InChIInChI=1S/C9H10N4.ClH/c10-6-8-7-13(12-11-8)9-4-2-1-3-5-9;/h1-5,7H,6,10H2;1H
InChIKeyYSJCRPQLOKWYCM-UHFFFAOYSA-N
MW210.67 g/mol
LogP1.15
Rot. Bonds2

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

(1-phenyltriazol-4-yl)methanamine;hydrochloride (PubChem CID 71755771) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is (1-phenyltriazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-phenyltriazol-4-yl)methanamine;hydrochloride
PubChem CID71755771
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name(1-phenyltriazol-4-yl)methanamine;hydrochloride
SMILESCl.NCc1cn(-c2ccccc2)nn1
InChIInChI=1S/C9H10N4.ClH/c10-6-8-7-13(12-11-8)9-4-2-1-3-5-9;/h1-5,7H,6,10H2;1H
InChIKeyYSJCRPQLOKWYCM-UHFFFAOYSA-N
XLogP1.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-phenyltriazol-4-yl)methanamine;hydrochloride?
The IUPAC name of (1-phenyltriazol-4-yl)methanamine;hydrochloride (CID 71755771) is (1-phenyltriazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (1-phenyltriazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for (1-phenyltriazol-4-yl)methanamine;hydrochloride is Cl.NCc1cn(-c2ccccc2)nn1.
What is the InChIKey of (1-phenyltriazol-4-yl)methanamine;hydrochloride?
The InChIKey is YSJCRPQLOKWYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4.ClH/c10-6-8-7-13(12-11-8)9-4-2-1-3-5-9;/h1-5,7H,6,10H2;1H.
What are the key properties of (1-phenyltriazol-4-yl)methanamine;hydrochloride?
(1-phenyltriazol-4-yl)methanamine;hydrochloride has a molecular weight of 210.67 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyltriazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 71755771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).