2-hydroxy-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide

C13H16N4O3 — CID 13469415

IUPAC2-hydroxy-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide
SMILESCC(O)C(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1
InChIInChI=1S/C13H16N4O3/c1-7-11(16-17-13(20)14-7)9-3-5-10(6-4-9)15-12(19)8(2)18/h3-8,18H,1-2H3,(H,15,19)(H2,14,17,20)
InChIKeyPEVNNZLSNNLVCI-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.41
Rot. Bonds3

About 2-hydroxy-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide

2-hydroxy-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide (PubChem CID 13469415) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-hydroxy-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-hydroxy-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide
PubChem CID13469415
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-hydroxy-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide
SMILESCC(O)C(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1
InChIInChI=1S/C13H16N4O3/c1-7-11(16-17-13(20)14-7)9-3-5-10(6-4-9)15-12(19)8(2)18/h3-8,18H,1-2H3,(H,15,19)(H2,14,17,20)
InChIKeyPEVNNZLSNNLVCI-UHFFFAOYSA-N
XLogP0.41
TPSA102.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide
CID 13469399
1-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]-3-phenyl-1-sulfanylurea
CID 88678167
6-[4-[(2,5-dihydroxypyrrol-1-yl)methylamino]phenyl]-5-methyl-4,5-dihydro-2H-1,2,4-triazin-3-one
CID 54383499
2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 22160509
N-[2-chloro-4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide
CID 13386052
2-methyl-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide
CID 23458541
N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
CID 10562323
(2S)-2-hydroxy-N-pyridin-4-ylpropanamide
CID 130695584
5-methyl-6-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-4,5-dihydro-2H-1,2,4-triazin-3-one
CID 13469425
5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-3-propan-2-yl-1,3-benzothiazol-2-one
CID 23326472
(4R)-4-amino-5-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-5-oxopentanoic acid
CID 70374887
2,3-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-oxopentanethioamide
CID 88654008

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide?
The IUPAC name of 2-hydroxy-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide (CID 13469415) is 2-hydroxy-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide.
What is the SMILES notation for 2-hydroxy-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide?
The canonical SMILES for 2-hydroxy-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide is CC(O)C(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1.
What is the InChIKey of 2-hydroxy-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide?
The InChIKey is PEVNNZLSNNLVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-7-11(16-17-13(20)14-7)9-3-5-10(6-4-9)15-12(19)8(2)18/h3-8,18H,1-2H3,(H,15,19)(H2,14,17,20).
What are the key properties of 2-hydroxy-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide?
2-hydroxy-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide has a molecular weight of 276.30 g/mol, XLogP of 0.41, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide is sourced from PubChem (CID 13469415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).