N-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C13H12N4O3 — CID 116786941

IUPACN-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)C1CNc2ccccc2O1
InChIInChI=1S/C13H12N4O3/c18-12-6-5-11(16-17-12)15-13(19)10-7-14-8-3-1-2-4-9(8)20-10/h1-6,10,14H,7H2,(H,17,18)(H,15,16,19)
InChIKeyRSBZYPBHNAVUJP-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.58
Rot. Bonds2

About N-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 116786941) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID116786941
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC NameN-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)C1CNc2ccccc2O1
InChIInChI=1S/C13H12N4O3/c18-12-6-5-11(16-17-12)15-13(19)10-7-14-8-3-1-2-4-9(8)20-10/h1-6,10,14H,7H2,(H,17,18)(H,15,16,19)
InChIKeyRSBZYPBHNAVUJP-UHFFFAOYSA-N
XLogP0.58
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 116786941) is N-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is O=C(Nc1ccc(=O)[nH]n1)C1CNc2ccccc2O1.
What is the InChIKey of N-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is RSBZYPBHNAVUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c18-12-6-5-11(16-17-12)15-13(19)10-7-14-8-3-1-2-4-9(8)20-10/h1-6,10,14H,7H2,(H,17,18)(H,15,16,19).
What are the key properties of N-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 116786941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).