5-amino-1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)triazole-4-carboxamide

C18H18FN5O2 — CID 2134349

IUPAC5-amino-1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)triazole-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1nnn(Cc2cccc(F)c2)c1N
InChIInChI=1S/C18H18FN5O2/c1-11-6-7-15(26-2)14(8-11)21-18(25)16-17(20)24(23-22-16)10-12-4-3-5-13(19)9-12/h3-9H,10,20H2,1-2H3,(H,21,25)
InChIKeyLNJAFQVCSBSVGP-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.62
Rot. Bonds5

About 5-amino-1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)triazole-4-carboxamide

5-amino-1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)triazole-4-carboxamide (PubChem CID 2134349) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 5-amino-1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)triazole-4-carboxamide
PubChem CID2134349
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name5-amino-1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)triazole-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1nnn(Cc2cccc(F)c2)c1N
InChIInChI=1S/C18H18FN5O2/c1-11-6-7-15(26-2)14(8-11)21-18(25)16-17(20)24(23-22-16)10-12-4-3-5-13(19)9-12/h3-9H,10,20H2,1-2H3,(H,21,25)
InChIKeyLNJAFQVCSBSVGP-UHFFFAOYSA-N
XLogP2.62
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide
CID 2135890
5-amino-N-(3-methoxyphenyl)-1-phenethyl-triazole-4-carboxamide
CID 5309881
5-amino-1-{2-[(2-methoxyphenyl)amino]-2-oxoethyl}-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 2134291
5-amino-1-(3-methoxybenzyl)-N-(2-methoxy-5-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
CID 2135887
5-amino-N-(5-chloro-2-methoxyphenyl)-1-(3-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 2135888
5-amino-N-(2,5-dimethoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide
CID 2135896
5-amino-N-(2-methoxy-5-methylphenyl)-1-(2-phenylethyl)triazole-4-carboxamide
CID 2135897
5-amino-1-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-N-(2-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 3237012
5-amino-1-{2-[(2-ethoxyphenyl)amino]-2-oxoethyl}-N-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
CID 3237666
5-amino-1-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-N-phenyl-1H-1,2,3-triazole-4-carboxamide
CID 3241488
5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-{2-[(2-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
CID 3242009
5-amino-1-{[(2-methoxyphenyl)carbamoyl]methyl}-N-phenyl-1H-1,2,3-triazole-4-carboxamide
CID 3243247

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)triazole-4-carboxamide (CID 2134349) is 5-amino-1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)triazole-4-carboxamide is COc1ccc(C)cc1NC(=O)c1nnn(Cc2cccc(F)c2)c1N.
What is the InChIKey of 5-amino-1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)triazole-4-carboxamide?
The InChIKey is LNJAFQVCSBSVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-11-6-7-15(26-2)14(8-11)21-18(25)16-17(20)24(23-22-16)10-12-4-3-5-13(19)9-12/h3-9H,10,20H2,1-2H3,(H,21,25).
What are the key properties of 5-amino-1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)triazole-4-carboxamide?
5-amino-1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)triazole-4-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 2134349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).