(2-methoxyphenyl)-[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone

C24H22N4O3 — CID 15991328

IUPAC(2-methoxyphenyl)-[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone
SMILESCOc1ccc(CNc2nc(-c3ccccc3)nn2C(=O)c2ccccc2OC)cc1
InChIInChI=1S/C24H22N4O3/c1-30-19-14-12-17(13-15-19)16-25-24-26-22(18-8-4-3-5-9-18)27-28(24)23(29)20-10-6-7-11-21(20)31-2/h3-15H,16H2,1-2H3,(H,25,26,27)
InChIKeyYXGYVSTXYDTPPE-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.26
Rot. Bonds7

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

(2-methoxyphenyl)-[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone (PubChem CID 15991328) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is (2-methoxyphenyl)-[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone
PubChem CID15991328
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name(2-methoxyphenyl)-[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone
SMILESCOc1ccc(CNc2nc(-c3ccccc3)nn2C(=O)c2ccccc2OC)cc1
InChIInChI=1S/C24H22N4O3/c1-30-19-14-12-17(13-15-19)16-25-24-26-22(18-8-4-3-5-9-18)27-28(24)23(29)20-10-6-7-11-21(20)31-2/h3-15H,16H2,1-2H3,(H,25,26,27)
InChIKeyYXGYVSTXYDTPPE-UHFFFAOYSA-N
XLogP4.26
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-(2-furylmethyl)-1-(2-methoxybenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 2211338
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
1-(3,4-dimethoxybenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 975107
3-(4-chlorophenyl)-1-(2-methoxybenzoyl)-1H-1,2,4-triazol-5-amine
CID 975143
1-[5-(2-Furanylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone
CID 2208140
2-methoxy-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
CID 32460717
3-Butoxy-1-(2-methoxybenzoyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 45488401
(5-Amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
CID 895500
[5-[(4-Methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone
CID 2212288
3-(4-methoxyphenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-amine
CID 753277
3-(4-methoxyphenyl)-1-(4-methylbenzoyl)-1H-1,2,4-triazol-5-ylamine
CID 753282

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone (CID 15991328) is (2-methoxyphenyl)-[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone is COc1ccc(CNc2nc(-c3ccccc3)nn2C(=O)c2ccccc2OC)cc1.
What is the InChIKey of (2-methoxyphenyl)-[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone?
The InChIKey is YXGYVSTXYDTPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-30-19-14-12-17(13-15-19)16-25-24-26-22(18-8-4-3-5-9-18)27-28(24)23(29)20-10-6-7-11-21(20)31-2/h3-15H,16H2,1-2H3,(H,25,26,27).
What are the key properties of (2-methoxyphenyl)-[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone?
(2-methoxyphenyl)-[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone has a molecular weight of 414.47 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone is sourced from PubChem (CID 15991328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).