3-[(4-fluorophenyl)methyl]triazol-4-amine

C9H9FN4 — CID 45490115

IUPAC3-[(4-fluorophenyl)methyl]triazol-4-amine
SMILESNc1cnnn1Cc1ccc(F)cc1
InChIInChI=1S/C9H9FN4/c10-8-3-1-7(2-4-8)6-14-9(11)5-12-13-14/h1-5H,6,11H2
InChIKeyMYGKOFFEQHTDFL-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.05
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]triazol-4-amine

3-[(4-fluorophenyl)methyl]triazol-4-amine (PubChem CID 45490115) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]triazol-4-amine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]triazol-4-amine
PubChem CID45490115
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name3-[(4-fluorophenyl)methyl]triazol-4-amine
SMILESNc1cnnn1Cc1ccc(F)cc1
InChIInChI=1S/C9H9FN4/c10-8-3-1-7(2-4-8)6-14-9(11)5-12-13-14/h1-5H,6,11H2
InChIKeyMYGKOFFEQHTDFL-UHFFFAOYSA-N
XLogP1.05
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-fluorophenyl)methyl]triazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]triazol-4-amine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]triazol-4-amine (CID 45490115) is 3-[(4-fluorophenyl)methyl]triazol-4-amine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]triazol-4-amine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]triazol-4-amine is Nc1cnnn1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]triazol-4-amine?
The InChIKey is MYGKOFFEQHTDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c10-8-3-1-7(2-4-8)6-14-9(11)5-12-13-14/h1-5H,6,11H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]triazol-4-amine?
3-[(4-fluorophenyl)methyl]triazol-4-amine has a molecular weight of 192.20 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]triazol-4-amine is sourced from PubChem (CID 45490115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).