3-[3-(3-chlorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide

C15H17ClN4O2 — CID 135872261

IUPAC3-[3-(3-chlorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1nnc(-c2cccc(Cl)c2)[nH]c1=O
InChIInChI=1S/C15H17ClN4O2/c1-9(2)17-13(21)7-6-12-15(22)18-14(20-19-12)10-4-3-5-11(16)8-10/h3-5,8-9H,6-7H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyVHERXQSFDWLOBY-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.94
Rot. Bonds5

About 3-[3-(3-chlorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide

3-[3-(3-chlorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide (PubChem CID 135872261) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 3-[3-(3-chlorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[3-(3-chlorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide
PubChem CID135872261
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name3-[3-(3-chlorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1nnc(-c2cccc(Cl)c2)[nH]c1=O
InChIInChI=1S/C15H17ClN4O2/c1-9(2)17-13(21)7-6-12-15(22)18-14(20-19-12)10-4-3-5-11(16)8-10/h3-5,8-9H,6-7H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyVHERXQSFDWLOBY-UHFFFAOYSA-N
XLogP1.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Chlorophenyl)-6-methyl-1,2,4-triazin-5-ol
CID 135472873
N-[1-(2-chlorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24543977
N-[1-(3-chlorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24544032
N-[1-(4-chlorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24544541
3-[3-(3-chloro-4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-ethyl-N-methylpropanamide
CID 135868944
N-cyclohexyl-3-[3-(2-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135872238
N-cyclopropyl-3-[3-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135872247
N-cyclopentyl-3-[3-(3-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135872446
3-(3-chloro-4-fluorophenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one
CID 135872451
3-[3-(3-chloro-4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-methyl-N-propan-2-ylpropanamide
CID 135872456
3-[3-(3-chloro-4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-prop-2-ynylpropanamide
CID 135872460
3-(3-chloro-4-fluorophenyl)-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one
CID 156601811

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[3-(3-chlorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide (CID 135872261) is 3-[3-(3-chlorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[3-(3-chlorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[3-(3-chlorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCc1nnc(-c2cccc(Cl)c2)[nH]c1=O.
What is the InChIKey of 3-[3-(3-chlorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide?
The InChIKey is VHERXQSFDWLOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-9(2)17-13(21)7-6-12-15(22)18-14(20-19-12)10-4-3-5-11(16)8-10/h3-5,8-9H,6-7H2,1-2H3,(H,17,21)(H,18,20,22).
What are the key properties of 3-[3-(3-chlorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide?
3-[3-(3-chlorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide has a molecular weight of 320.78 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chlorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 135872261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).