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

C19H17ClN4O2 — CID 92902673

IUPAC(2R)-N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)[C@@H](C)n1ncc(-c2ccccc2)nc1=O
InChIInChI=1S/C19H17ClN4O2/c1-12-15(20)9-6-10-16(12)22-18(25)13(2)24-19(26)23-17(11-21-24)14-7-4-3-5-8-14/h3-11,13H,1-2H3,(H,22,25)/t13-/m1/s1
InChIKeyIFVORVHWDHFZTR-CYBMUJFWSA-N
MW368.82 g/mol
LogP3.47
Rot. Bonds4

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

(2R)-N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide (PubChem CID 92902673) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is (2R)-N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
PubChem CID92902673
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name(2R)-N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)[C@@H](C)n1ncc(-c2ccccc2)nc1=O
InChIInChI=1S/C19H17ClN4O2/c1-12-15(20)9-6-10-16(12)22-18(25)13(2)24-19(26)23-17(11-21-24)14-7-4-3-5-8-14/h3-11,13H,1-2H3,(H,22,25)/t13-/m1/s1
InChIKeyIFVORVHWDHFZTR-CYBMUJFWSA-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

(2S)-2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,3-dimethylphenyl)propanamide
CID 92902750
(2S)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
CID 92902674
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
CID 92902675
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
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19533587
N-(4-fluorophenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
CID 53048288
(2S)-N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 92902730
(2R)-N-(2-chloro-6-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 94009941
(2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide
CID 92902778
(2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868316
N-(3-methylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 50752296

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide?
The IUPAC name of (2R)-N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide (CID 92902673) is (2R)-N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide.
What is the SMILES notation for (2R)-N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide?
The canonical SMILES for (2R)-N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide is Cc1c(Cl)cccc1NC(=O)[C@@H](C)n1ncc(-c2ccccc2)nc1=O.
What is the InChIKey of (2R)-N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide?
The InChIKey is IFVORVHWDHFZTR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-12-15(20)9-6-10-16(12)22-18(25)13(2)24-19(26)23-17(11-21-24)14-7-4-3-5-8-14/h3-11,13H,1-2H3,(H,22,25)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide?
(2R)-N-(3-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 (2R)-N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide is sourced from PubChem (CID 92902673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).