[1-[(2-fluorophenyl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine

C17H17FN4O — CID 94943577

IUPAC[1-[(2-fluorophenyl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine
SMILESNCc1nnn(Cc2ccccc2F)c1COc1ccccc1
InChIInChI=1S/C17H17FN4O/c18-15-9-5-4-6-13(15)11-22-17(16(10-19)20-21-22)12-23-14-7-2-1-3-8-14/h1-9H,10-12,19H2
InChIKeyGTGOMRPGFPDXFP-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.50
Rot. Bonds6

About [1-[(2-fluorophenyl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine

[1-[(2-fluorophenyl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine (PubChem CID 94943577) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine
PubChem CID94943577
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name[1-[(2-fluorophenyl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine
SMILESNCc1nnn(Cc2ccccc2F)c1COc1ccccc1
InChIInChI=1S/C17H17FN4O/c18-15-9-5-4-6-13(15)11-22-17(16(10-19)20-21-22)12-23-14-7-2-1-3-8-14/h1-9H,10-12,19H2
InChIKeyGTGOMRPGFPDXFP-UHFFFAOYSA-N
XLogP2.50
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(2-fluorophenyl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine 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]-5-(phenoxymethyl)triazol-4-yl]methanamine?
The IUPAC name of [1-[(2-fluorophenyl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine (CID 94943577) is [1-[(2-fluorophenyl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine is NCc1nnn(Cc2ccccc2F)c1COc1ccccc1.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine?
The InChIKey is GTGOMRPGFPDXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-15-9-5-4-6-13(15)11-22-17(16(10-19)20-21-22)12-23-14-7-2-1-3-8-14/h1-9H,10-12,19H2.
What are the key properties of [1-[(2-fluorophenyl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine?
[1-[(2-fluorophenyl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine has a molecular weight of 312.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 94943577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).