(3-phenyltriazol-4-yl)methanamine

C9H10N4 — CID 56772096

IUPAC(3-phenyltriazol-4-yl)methanamine
SMILESNCc1cnnn1-c1ccccc1
InChIInChI=1S/C9H10N4/c10-6-9-7-11-12-13(9)8-4-2-1-3-5-8/h1-5,7H,6,10H2
InChIKeyGKZAYLJZSNPSNH-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.73
Rot. Bonds2

About (3-phenyltriazol-4-yl)methanamine

(3-phenyltriazol-4-yl)methanamine (PubChem CID 56772096) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is (3-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-phenyltriazol-4-yl)methanamine
PubChem CID56772096
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name(3-phenyltriazol-4-yl)methanamine
SMILESNCc1cnnn1-c1ccccc1
InChIInChI=1S/C9H10N4/c10-6-9-7-11-12-13(9)8-4-2-1-3-5-8/h1-5,7H,6,10H2
InChIKeyGKZAYLJZSNPSNH-UHFFFAOYSA-N
XLogP0.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-phenyltriazol-4-yl)methanamine?
The IUPAC name of (3-phenyltriazol-4-yl)methanamine (CID 56772096) is (3-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for (3-phenyltriazol-4-yl)methanamine?
The canonical SMILES for (3-phenyltriazol-4-yl)methanamine is NCc1cnnn1-c1ccccc1.
What is the InChIKey of (3-phenyltriazol-4-yl)methanamine?
The InChIKey is GKZAYLJZSNPSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-6-9-7-11-12-13(9)8-4-2-1-3-5-8/h1-5,7H,6,10H2.
What are the key properties of (3-phenyltriazol-4-yl)methanamine?
(3-phenyltriazol-4-yl)methanamine has a molecular weight of 174.21 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 56772096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).