7-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one

C13H13N3O3 — CID 15599421

IUPAC7-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one
SMILESCc1cc2c(cc1C1=NNC(=O)CC1)NC(=O)CO2
InChIInChI=1S/C13H13N3O3/c1-7-4-11-10(14-13(18)6-19-11)5-8(7)9-2-3-12(17)16-15-9/h4-5H,2-3,6H2,1H3,(H,14,18)(H,16,17)
InChIKeyJTHAXURBZSFOHE-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.94
Rot. Bonds1

About 7-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one

7-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one (PubChem CID 15599421) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 7-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one
PubChem CID15599421
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name7-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one
SMILESCc1cc2c(cc1C1=NNC(=O)CC1)NC(=O)CO2
InChIInChI=1S/C13H13N3O3/c1-7-4-11-10(14-13(18)6-19-11)5-8(7)9-2-3-12(17)16-15-9/h4-5H,2-3,6H2,1H3,(H,14,18)(H,16,17)
InChIKeyJTHAXURBZSFOHE-UHFFFAOYSA-N
XLogP0.94
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-amino-7-methyl-4H-1,4-benzoxazin-3-one
CID 16765287
7-amino-6-methyl-4H-1,4-benzoxazin-3-one
CID 19908759
6-(2-fluoro-3,4,5,6-tetramethylphenyl)-7-methyl-4H-1,4-benzoxazin-3-one
CID 170106851
6,7-difluoro-4H-1,4-benzoxazin-3-one
CID 46930344
ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087
7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen
CID 145497410
4-(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-4-oxobutanoic acid
CID 15599397
6-bromo-7-sulfanyl-4H-1,4-benzoxazin-3-one
CID 43152991
fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
CID 143760014
7-acetyl-6-bromo-4H-1,4-benzoxazin-3-one
CID 43152987
6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110746339
3-(3,5-dichloro-2,4-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 162095352

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one (CID 15599421) is 7-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one is Cc1cc2c(cc1C1=NNC(=O)CC1)NC(=O)CO2.
What is the InChIKey of 7-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one?
The InChIKey is JTHAXURBZSFOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-7-4-11-10(14-13(18)6-19-11)5-8(7)9-2-3-12(17)16-15-9/h4-5H,2-3,6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 7-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one?
7-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one has a molecular weight of 259.26 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 15599421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).