(2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide

C21H22N4O3 — CID 94009917

IUPAC(2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide
SMILESCC[C@@H](C(=O)Nc1ccc(OC)cc1)n1ncc(-c2ccc(C)cc2)nc1=O
InChIInChI=1S/C21H22N4O3/c1-4-19(20(26)23-16-9-11-17(28-3)12-10-16)25-21(27)24-18(13-22-25)15-7-5-14(2)6-8-15/h5-13,19H,4H2,1-3H3,(H,23,26)/t19-/m0/s1
InChIKeyVIGBAWHOKYNDLF-IBGZPJMESA-N
MW378.43 g/mol
LogP3.21
Rot. Bonds6

About (2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide

(2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide (PubChem CID 94009917) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide
PubChem CID94009917
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name(2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide
SMILESCC[C@@H](C(=O)Nc1ccc(OC)cc1)n1ncc(-c2ccc(C)cc2)nc1=O
InChIInChI=1S/C21H22N4O3/c1-4-19(20(26)23-16-9-11-17(28-3)12-10-16)25-21(27)24-18(13-22-25)15-7-5-14(2)6-8-15/h5-13,19H,4H2,1-3H3,(H,23,26)/t19-/m0/s1
InChIKeyVIGBAWHOKYNDLF-IBGZPJMESA-N
XLogP3.21
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide 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

N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide
CID 51345697
N-(4-chlorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide
CID 51345696
(2S)-N-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]butanamide
CID 28622867
2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-phenylpropanamide
CID 50752258
methyl 4-[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzoate
CID 43883154
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062265
N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 5064719
(2S)-N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 92902730
(2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide
CID 92902778
(2S)-N-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062251
(2R)-N-(4-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062263
(2S)-N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062258

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide (CID 94009917) is (2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide is CC[C@@H](C(=O)Nc1ccc(OC)cc1)n1ncc(-c2ccc(C)cc2)nc1=O.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide?
The InChIKey is VIGBAWHOKYNDLF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22N4O3/c1-4-19(20(26)23-16-9-11-17(28-3)12-10-16)25-21(27)24-18(13-22-25)15-7-5-14(2)6-8-15/h5-13,19H,4H2,1-3H3,(H,23,26)/t19-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide?
(2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide has a molecular weight of 378.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide is sourced from PubChem (CID 94009917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).