1-[(2-fluorophenyl)methyl]-N,N-dimethyltriazol-4-amine

C11H13FN4 — CID 54500581

IUPAC1-[(2-fluorophenyl)methyl]-N,N-dimethyltriazol-4-amine
SMILESCN(C)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C11H13FN4/c1-15(2)11-8-16(14-13-11)7-9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3
InChIKeyYCCWVCXEBXANOV-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.53
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-N,N-dimethyltriazol-4-amine

1-[(2-fluorophenyl)methyl]-N,N-dimethyltriazol-4-amine (PubChem CID 54500581) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N,N-dimethyltriazol-4-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N,N-dimethyltriazol-4-amine
PubChem CID54500581
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name1-[(2-fluorophenyl)methyl]-N,N-dimethyltriazol-4-amine
SMILESCN(C)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C11H13FN4/c1-15(2)11-8-16(14-13-11)7-9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3
InChIKeyYCCWVCXEBXANOV-UHFFFAOYSA-N
XLogP1.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2-fluorophenyl)methyl]-N,N-dimethyltriazol-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 1-[(2-fluorophenyl)methyl]-N,N-dimethyltriazol-4-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N,N-dimethyltriazol-4-amine (CID 54500581) is 1-[(2-fluorophenyl)methyl]-N,N-dimethyltriazol-4-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N,N-dimethyltriazol-4-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N,N-dimethyltriazol-4-amine is CN(C)c1cn(Cc2ccccc2F)nn1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N,N-dimethyltriazol-4-amine?
The InChIKey is YCCWVCXEBXANOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-15(2)11-8-16(14-13-11)7-9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N,N-dimethyltriazol-4-amine?
1-[(2-fluorophenyl)methyl]-N,N-dimethyltriazol-4-amine has a molecular weight of 220.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N,N-dimethyltriazol-4-amine is sourced from PubChem (CID 54500581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).