[5-[(2-methoxyphenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-phenylmethanone

C22H19N5O2 — CID 53491939

IUPAC[5-[(2-methoxyphenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-phenylmethanone
SMILESCOc1ccccc1CNc1nc(-c2ccncc2)nn1C(=O)c1ccccc1
InChIInChI=1S/C22H19N5O2/c1-29-19-10-6-5-9-18(19)15-24-22-25-20(16-11-13-23-14-12-16)26-27(22)21(28)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,25,26)
InChIKeyDPLBESABHRZYIN-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.65
Rot. Bonds6

About [5-[(2-methoxyphenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-phenylmethanone

[5-[(2-methoxyphenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-phenylmethanone (PubChem CID 53491939) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is [5-[(2-methoxyphenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[(2-methoxyphenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-phenylmethanone
PubChem CID53491939
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name[5-[(2-methoxyphenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-phenylmethanone
SMILESCOc1ccccc1CNc1nc(-c2ccncc2)nn1C(=O)c1ccccc1
InChIInChI=1S/C22H19N5O2/c1-29-19-10-6-5-9-18(19)15-24-22-25-20(16-11-13-23-14-12-16)26-27(22)21(28)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,25,26)
InChIKeyDPLBESABHRZYIN-UHFFFAOYSA-N
XLogP3.65
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[(2-methoxyphenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-phenylmethanone 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

(4-fluorophenyl)-[5-[(2-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
CID 7337612
[5-(benzylamino)-3-pyridin-4-yl-1,2,4-triazol-1-yl]-(3-methylphenyl)methanone
CID 71253521
[3,5-bis[(2-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone
CID 1258748
[3-(furan-2-yl)-5-[(2-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone
CID 46263880
(4-fluorophenyl)-[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone
CID 1294985
[5-(benzylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone
CID 4041763
[3-(furan-2-yl)-5-[(2-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone
CID 46263884
[5-[(2-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-(3-methoxyphenyl)methanone
CID 5138554
[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone
CID 3974873
N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 644968
[5-[(4-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-phenylmethanone
CID 5227786
[3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone
CID 22332266

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methoxyphenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-phenylmethanone?
The IUPAC name of [5-[(2-methoxyphenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-phenylmethanone (CID 53491939) is [5-[(2-methoxyphenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-phenylmethanone.
What is the SMILES notation for [5-[(2-methoxyphenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-phenylmethanone?
The canonical SMILES for [5-[(2-methoxyphenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-phenylmethanone is COc1ccccc1CNc1nc(-c2ccncc2)nn1C(=O)c1ccccc1.
What is the InChIKey of [5-[(2-methoxyphenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-phenylmethanone?
The InChIKey is DPLBESABHRZYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-29-19-10-6-5-9-18(19)15-24-22-25-20(16-11-13-23-14-12-16)26-27(22)21(28)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,25,26).
What are the key properties of [5-[(2-methoxyphenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-phenylmethanone?
[5-[(2-methoxyphenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-phenylmethanone has a molecular weight of 385.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methoxyphenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-phenylmethanone is sourced from PubChem (CID 53491939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).