(1-phenyltriazol-4-yl)methanamine

C9H10N4 — CID 18526002

IUPAC(1-phenyltriazol-4-yl)methanamine
SMILESNCc1cn(-c2ccccc2)nn1
InChIInChI=1S/C9H10N4/c10-6-8-7-13(12-11-8)9-4-2-1-3-5-9/h1-5,7H,6,10H2
InChIKeyLHCAALSSPCHRFS-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.73
Rot. Bonds2

About (1-phenyltriazol-4-yl)methanamine

(1-phenyltriazol-4-yl)methanamine (PubChem CID 18526002) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is (1-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-phenyltriazol-4-yl)methanamine
PubChem CID18526002
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name(1-phenyltriazol-4-yl)methanamine
SMILESNCc1cn(-c2ccccc2)nn1
InChIInChI=1S/C9H10N4/c10-6-8-7-13(12-11-8)9-4-2-1-3-5-9/h1-5,7H,6,10H2
InChIKeyLHCAALSSPCHRFS-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 (1-phenyltriazol-4-yl)methanamine?
The IUPAC name of (1-phenyltriazol-4-yl)methanamine (CID 18526002) is (1-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for (1-phenyltriazol-4-yl)methanamine?
The canonical SMILES for (1-phenyltriazol-4-yl)methanamine is NCc1cn(-c2ccccc2)nn1.
What is the InChIKey of (1-phenyltriazol-4-yl)methanamine?
The InChIKey is LHCAALSSPCHRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-6-8-7-13(12-11-8)9-4-2-1-3-5-9/h1-5,7H,6,10H2.
What are the key properties of (1-phenyltriazol-4-yl)methanamine?
(1-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 (1-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 18526002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).