1-phenyltriazol-4-amine

C8H8N4 — CID 22042185

IUPAC1-phenyltriazol-4-amine
SMILESNc1cn(-c2ccccc2)nn1
InChIInChI=1S/C8H8N4/c9-8-6-12(11-10-8)7-4-2-1-3-5-7/h1-6H,9H2
InChIKeyFOIKZZCOPIBALR-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.85
Rot. Bonds1

About 1-phenyltriazol-4-amine

1-phenyltriazol-4-amine (PubChem CID 22042185) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-phenyltriazol-4-amine.

Molecular Properties

Compound Name1-phenyltriazol-4-amine
PubChem CID22042185
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name1-phenyltriazol-4-amine
SMILESNc1cn(-c2ccccc2)nn1
InChIInChI=1S/C8H8N4/c9-8-6-12(11-10-8)7-4-2-1-3-5-7/h1-6H,9H2
InChIKeyFOIKZZCOPIBALR-UHFFFAOYSA-N
XLogP0.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyltriazol-4-amine?
The IUPAC name of 1-phenyltriazol-4-amine (CID 22042185) is 1-phenyltriazol-4-amine.
What is the SMILES notation for 1-phenyltriazol-4-amine?
The canonical SMILES for 1-phenyltriazol-4-amine is Nc1cn(-c2ccccc2)nn1.
What is the InChIKey of 1-phenyltriazol-4-amine?
The InChIKey is FOIKZZCOPIBALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-8-6-12(11-10-8)7-4-2-1-3-5-7/h1-6H,9H2.
What are the key properties of 1-phenyltriazol-4-amine?
1-phenyltriazol-4-amine has a molecular weight of 160.18 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyltriazol-4-amine is sourced from PubChem (CID 22042185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).