5-amino-N-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide

C18H18FN5O2 — CID 5307817

IUPAC5-amino-N-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
SMILESCOc1cccc(Cn2nnc(C(=O)NCc3ccc(F)cc3)c2N)c1
InChIInChI=1S/C18H18FN5O2/c1-26-15-4-2-3-13(9-15)11-24-17(20)16(22-23-24)18(25)21-10-12-5-7-14(19)8-6-12/h2-9H,10-11,20H2,1H3,(H,21,25)
InChIKeyIGPDPIUVOJXUBG-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.99
Rot. Bonds6

About 5-amino-N-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide

5-amino-N-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide (PubChem CID 5307817) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 5-amino-N-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
PubChem CID5307817
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name5-amino-N-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
SMILESCOc1cccc(Cn2nnc(C(=O)NCc3ccc(F)cc3)c2N)c1
InChIInChI=1S/C18H18FN5O2/c1-26-15-4-2-3-13(9-15)11-24-17(20)16(22-23-24)18(25)21-10-12-5-7-14(19)8-6-12/h2-9H,10-11,20H2,1H3,(H,21,25)
InChIKeyIGPDPIUVOJXUBG-UHFFFAOYSA-N
XLogP1.99
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-N-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide 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 5-amino-N-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide (CID 5307817) is 5-amino-N-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide is COc1cccc(Cn2nnc(C(=O)NCc3ccc(F)cc3)c2N)c1.
What is the InChIKey of 5-amino-N-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide?
The InChIKey is IGPDPIUVOJXUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-26-15-4-2-3-13(9-15)11-24-17(20)16(22-23-24)18(25)21-10-12-5-7-14(19)8-6-12/h2-9H,10-11,20H2,1H3,(H,21,25).
What are the key properties of 5-amino-N-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide?
5-amino-N-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 5307817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).