5-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

C20H21N5O3 — CID 55963053

IUPAC5-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2=NC(C)C(=O)N(c3ccccc3)N2)c(C)c1
InChIInChI=1S/C20H21N5O3/c1-12-11-14(18(26)21-3)9-10-16(12)23-19(27)17-22-13(2)20(28)25(24-17)15-7-5-4-6-8-15/h4-11,13H,1-3H3,(H,21,26)(H,22,24)(H,23,27)
InChIKeyPLWUTQCHIFZQRM-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.63
Rot. Bonds4

About 5-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

5-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 55963053) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
PubChem CID55963053
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name5-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2=NC(C)C(=O)N(c3ccccc3)N2)c(C)c1
InChIInChI=1S/C20H21N5O3/c1-12-11-14(18(26)21-3)9-10-16(12)23-19(27)17-22-13(2)20(28)25(24-17)15-7-5-4-6-8-15/h4-11,13H,1-3H3,(H,21,26)(H,22,24)(H,23,27)
InChIKeyPLWUTQCHIFZQRM-UHFFFAOYSA-N
XLogP1.63
TPSA102.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide with MolForge

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Related Compounds

N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 55990741
5-methyl-6-oxo-1-phenyl-N-quinolin-8-yl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 55602269
5-methyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 43072459
(5R)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 39900316
4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide
CID 131930892
(5S)-N-(1-benzylpiperidin-4-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 39895861
(5R)-5-methyl-6-oxo-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 94663985
N-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 60617884
5-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 55677777
4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide
CID 61215739
3-benzamido-N,4-dimethylbenzamide
CID 17226324
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 55963053) is 5-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is CNC(=O)c1ccc(NC(=O)C2=NC(C)C(=O)N(c3ccccc3)N2)c(C)c1.
What is the InChIKey of 5-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The InChIKey is PLWUTQCHIFZQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-12-11-14(18(26)21-3)9-10-16(12)23-19(27)17-22-13(2)20(28)25(24-17)15-7-5-4-6-8-15/h4-11,13H,1-3H3,(H,21,26)(H,22,24)(H,23,27).
What are the key properties of 5-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
5-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 55963053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).