(2S)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide

C19H17ClN4O2 — CID 92902674

IUPAC(2S)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)[C@H](C)n1ncc(-c2ccccc2)nc1=O
InChIInChI=1S/C19H17ClN4O2/c1-12-10-15(20)8-9-16(12)22-18(25)13(2)24-19(26)23-17(11-21-24)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,22,25)/t13-/m0/s1
InChIKeyVYWNXJZQJYIGID-ZDUSSCGKSA-N
MW368.82 g/mol
LogP3.47
Rot. Bonds4

About (2S)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide

(2S)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide (PubChem CID 92902674) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is (2S)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
PubChem CID92902674
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name(2S)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)[C@H](C)n1ncc(-c2ccccc2)nc1=O
InChIInChI=1S/C19H17ClN4O2/c1-12-10-15(20)8-9-16(12)22-18(25)13(2)24-19(26)23-17(11-21-24)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,22,25)/t13-/m0/s1
InChIKeyVYWNXJZQJYIGID-ZDUSSCGKSA-N
XLogP3.47
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
CID 92902675
(2R)-N-(4-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062263
(2R)-N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
CID 92902673
(2S)-2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,3-dimethylphenyl)propanamide
CID 92902750
(2S)-N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062258
2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-phenylpropanamide
CID 50752258
(2R)-N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 92902701
(2S)-N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 92902730
(2R)-N-(4-fluoro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062269
N-(4-fluorophenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
CID 53048288
N-(3-methylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 50752296
(2S)-N-(3-methylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 92902714

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide?
The IUPAC name of (2S)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide (CID 92902674) is (2S)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide.
What is the SMILES notation for (2S)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide?
The canonical SMILES for (2S)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide is Cc1cc(Cl)ccc1NC(=O)[C@H](C)n1ncc(-c2ccccc2)nc1=O.
What is the InChIKey of (2S)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide?
The InChIKey is VYWNXJZQJYIGID-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-12-10-15(20)8-9-16(12)22-18(25)13(2)24-19(26)23-17(11-21-24)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,22,25)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide?
(2S)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide has a molecular weight of 368.82 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide is sourced from PubChem (CID 92902674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).