(1-phenyltriazol-4-yl)methylazanium chloride

C9H11ClN4 — CID 82018236

IUPAC(1-phenyltriazol-4-yl)methylazanium chloride
SMILES[Cl-].[NH3+]Cc1cn(-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
LogP-2.99
Rot. Bonds2

About (1-phenyltriazol-4-yl)methylazanium chloride

(1-phenyltriazol-4-yl)methylazanium chloride (PubChem CID 82018236) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is (1-phenyltriazol-4-yl)methylazanium chloride.

Molecular Properties

Compound Name(1-phenyltriazol-4-yl)methylazanium chloride
PubChem CID82018236
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name(1-phenyltriazol-4-yl)methylazanium chloride
SMILES[Cl-].[NH3+]Cc1cn(-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
XLogP-2.99
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 5-2.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-phenyltriazol-4-yl)methylazanium chloride?
The IUPAC name of (1-phenyltriazol-4-yl)methylazanium chloride (CID 82018236) is (1-phenyltriazol-4-yl)methylazanium chloride.
What is the SMILES notation for (1-phenyltriazol-4-yl)methylazanium chloride?
The canonical SMILES for (1-phenyltriazol-4-yl)methylazanium chloride is [Cl-].[NH3+]Cc1cn(-c2ccccc2)nn1.
What is the InChIKey of (1-phenyltriazol-4-yl)methylazanium chloride?
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)methylazanium chloride?
(1-phenyltriazol-4-yl)methylazanium chloride has a molecular weight of 210.67 g/mol, XLogP of -2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyltriazol-4-yl)methylazanium chloride is sourced from PubChem (CID 82018236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).