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

C10H11FN4 — CID 54468986

IUPAC1-[(2-fluorophenyl)methyl]-N-methyltriazol-4-amine
SMILESCNc1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C10H11FN4/c1-12-10-7-15(14-13-10)6-8-4-2-3-5-9(8)11/h2-5,7,12H,6H2,1H3
InChIKeyXGYSTAFHRIZEDD-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.51
Rot. Bonds3

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

1-[(2-fluorophenyl)methyl]-N-methyltriazol-4-amine (PubChem CID 54468986) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-methyltriazol-4-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-methyltriazol-4-amine
PubChem CID54468986
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name1-[(2-fluorophenyl)methyl]-N-methyltriazol-4-amine
SMILESCNc1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C10H11FN4/c1-12-10-7-15(14-13-10)6-8-4-2-3-5-9(8)11/h2-5,7,12H,6H2,1H3
InChIKeyXGYSTAFHRIZEDD-UHFFFAOYSA-N
XLogP1.51
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-methyltriazol-4-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-methyltriazol-4-amine (CID 54468986) is 1-[(2-fluorophenyl)methyl]-N-methyltriazol-4-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-methyltriazol-4-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-methyltriazol-4-amine is CNc1cn(Cc2ccccc2F)nn1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-methyltriazol-4-amine?
The InChIKey is XGYSTAFHRIZEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-12-10-7-15(14-13-10)6-8-4-2-3-5-9(8)11/h2-5,7,12H,6H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-methyltriazol-4-amine?
1-[(2-fluorophenyl)methyl]-N-methyltriazol-4-amine has a molecular weight of 206.22 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-methyltriazol-4-amine is sourced from PubChem (CID 54468986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).