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

C13H15ClN4O2 — CID 13469399

IUPAC2-chloro-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide
SMILESCC(Cl)C(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1
InChIInChI=1S/C13H15ClN4O2/c1-7(14)12(19)16-10-5-3-9(4-6-10)11-8(2)15-13(20)18-17-11/h3-8H,1-2H3,(H,16,19)(H2,15,18,20)
InChIKeyIWSAYFHYFDJKJR-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.66
Rot. Bonds3

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

2-chloro-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide (PubChem CID 13469399) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-chloro-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide
PubChem CID13469399
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name2-chloro-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide
SMILESCC(Cl)C(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1
InChIInChI=1S/C13H15ClN4O2/c1-7(14)12(19)16-10-5-3-9(4-6-10)11-8(2)15-13(20)18-17-11/h3-8H,1-2H3,(H,16,19)(H2,15,18,20)
InChIKeyIWSAYFHYFDJKJR-UHFFFAOYSA-N
XLogP1.66
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide
CID 13469415
1-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]-3-phenyl-1-sulfanylurea
CID 88678167
N-[2-chloro-4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide
CID 13386052
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
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide
CID 18877630
2-methyl-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide
CID 23458541
methyl N-[4-(2-chloropropanoylamino)phenyl]carbamate
CID 43701229
N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
CID 10562323
4-[[(2S)-2-chloropropanoyl]amino]benzamide
CID 2118148

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide?
The IUPAC name of 2-chloro-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide (CID 13469399) is 2-chloro-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-chloro-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide?
The canonical SMILES for 2-chloro-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide is CC(Cl)C(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1.
What is the InChIKey of 2-chloro-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide?
The InChIKey is IWSAYFHYFDJKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-7(14)12(19)16-10-5-3-9(4-6-10)11-8(2)15-13(20)18-17-11/h3-8H,1-2H3,(H,16,19)(H2,15,18,20).
What are the key properties of 2-chloro-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide?
2-chloro-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide has a molecular weight of 294.74 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide is sourced from PubChem (CID 13469399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).