4-methanimidoyl-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one

C9H12N4O2 — CID 88898617

IUPAC4-methanimidoyl-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one
SMILES[H]/N=C/c1c2c(nn(C)c1=O)OCCN2C
InChIInChI=1S/C9H12N4O2/c1-12-3-4-15-8-7(12)6(5-10)9(14)13(2)11-8/h5,10H,3-4H2,1-2H3/b10-5+
InChIKeyLSZGGQHFQBHBME-BJMVGYQFSA-N
MW208.22 g/mol
LogP-0.39
Rot. Bonds1

About 4-methanimidoyl-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one

4-methanimidoyl-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one (PubChem CID 88898617) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-methanimidoyl-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-methanimidoyl-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one
PubChem CID88898617
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name4-methanimidoyl-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one
SMILES[H]/N=C/c1c2c(nn(C)c1=O)OCCN2C
InChIInChI=1S/C9H12N4O2/c1-12-3-4-15-8-7(12)6(5-10)9(14)13(2)11-8/h5,10H,3-4H2,1-2H3/b10-5+
InChIKeyLSZGGQHFQBHBME-BJMVGYQFSA-N
XLogP-0.39
TPSA71.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methanimidoyl-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one?
The IUPAC name of 4-methanimidoyl-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one (CID 88898617) is 4-methanimidoyl-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-methanimidoyl-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one?
The canonical SMILES for 4-methanimidoyl-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one is [H]/N=C/c1c2c(nn(C)c1=O)OCCN2C.
What is the InChIKey of 4-methanimidoyl-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one?
The InChIKey is LSZGGQHFQBHBME-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-12-3-4-15-8-7(12)6(5-10)9(14)13(2)11-8/h5,10H,3-4H2,1-2H3/b10-5+.
What are the key properties of 4-methanimidoyl-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one?
4-methanimidoyl-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one has a molecular weight of 208.22 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanimidoyl-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one is sourced from PubChem (CID 88898617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).