(5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone

C16H14N4O2 — CID 895500

IUPAC(5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)n1nc(-c2ccccc2)nc1N
InChIInChI=1S/C16H14N4O2/c1-22-13-10-6-5-9-12(13)15(21)20-16(17)18-14(19-20)11-7-3-2-4-8-11/h2-10H,1H3,(H2,17,18,19)
InChIKeyXFOFNRPAKUBICP-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.22
Rot. Bonds3

About (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone

(5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone (PubChem CID 895500) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
PubChem CID895500
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name(5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)n1nc(-c2ccccc2)nc1N
InChIInChI=1S/C16H14N4O2/c1-22-13-10-6-5-9-12(13)15(21)20-16(17)18-14(19-20)11-7-3-2-4-8-11/h2-10H,1H3,(H2,17,18,19)
InChIKeyXFOFNRPAKUBICP-UHFFFAOYSA-N
XLogP2.22
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-furylmethyl)-1-(2-methoxybenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 2211338
2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 4182199
1-(2-Methoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-3-phenyl-1H-1,2,4-triazol-5-amine
CID 15991328
3-(2-Methoxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2234387
5-(2-Methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
(5-Amino-3-p-tolyl-[1,2,4]triazol-1-yl)-(3,4-dimethoxy-phenyl)-methanone
CID 654458
1-butyryl-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine
CID 753275
1-benzoyl-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine
CID 753280
1-(4-methoxybenzoyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-ylamine
CID 753284
methyl4-{[5-(methylthio)-3-phenyl-1H-1,2,4-triazol-1-yl]carbonyl}phenylether
CID 828565
3-(2-furyl)-1-(2-methoxybenzoyl)-1H-1,2,4-triazol-5-amine
CID 969710
1-(3,4-dimethoxybenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 975107

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone (CID 895500) is (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)n1nc(-c2ccccc2)nc1N.
What is the InChIKey of (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone?
The InChIKey is XFOFNRPAKUBICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-13-10-6-5-9-12(13)15(21)20-16(17)18-14(19-20)11-7-3-2-4-8-11/h2-10H,1H3,(H2,17,18,19).
What are the key properties of (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone?
(5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone has a molecular weight of 294.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 895500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).