5H-pyridazino[3,4-b][1,4]benzoxazine

C10H7N3O — CID 82655411

IUPAC5H-pyridazino[3,4-b][1,4]benzoxazine
SMILESc1ccc2c(c1)Nc1ccnnc1O2
InChIInChI=1S/C10H7N3O/c1-2-4-9-7(3-1)12-8-5-6-11-13-10(8)14-9/h1-6,12H
InChIKeyFAHPNOUTDYSROZ-UHFFFAOYSA-N
MW185.19 g/mol
LogP2.33
Rot. Bonds

About 5H-pyridazino[3,4-b][1,4]benzoxazine

5H-pyridazino[3,4-b][1,4]benzoxazine (PubChem CID 82655411) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 5H-pyridazino[3,4-b][1,4]benzoxazine.

Molecular Properties

Compound Name5H-pyridazino[3,4-b][1,4]benzoxazine
PubChem CID82655411
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name5H-pyridazino[3,4-b][1,4]benzoxazine
SMILESc1ccc2c(c1)Nc1ccnnc1O2
InChIInChI=1S/C10H7N3O/c1-2-4-9-7(3-1)12-8-5-6-11-13-10(8)14-9/h1-6,12H
InChIKeyFAHPNOUTDYSROZ-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-10-methyl-3,4-diazaphenoxazine
CID 2832033
N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine;hydrate;hydrochloride
CID 6602757
Ethanamine, N,N-diethyl-2-((5-methyl-5H-pyridazino(3,4-b)(1,4)benzoxazin-3-yl)oxy)-, dihydrochloride
CID 6410477
5H-Pyridazino(3,4-b)(1,4)benzoxazine, 3-(1-piperazinyl)-
CID 6410472
5H-Pyridazino(3,4-b)(1,4)benzoxazine, 5-(3-(dimethylamino)propyl)-8-nitro-
CID 6410486
5H-Pyridazino(3,4-b)(1,4)benzoxazine, 5-(3-(dimethylamino)propyl)-
CID 6410490
10H-Pyridazino(4,5-b)(1,4)benzoxazine-10-propanamine, 1-butoxy-N,N-dimethyl-, hydrochloride, hydrate (2:4:1)
CID 6410521
3-Chloro-5H-benzo[b]pyridazino[4,3-e][1,4]oxazine
CID 9497096
N,N-diethyl-2-[(5-methyl-5H-pyridazino[3,4-b][1,4]benzoxazin-3-yl)oxy]ethanamine
CID 658768
5H-benzo[b]pyrido[3,2-e][1,4]oxazine
CID 12427854
Diazaphenoxazine
CID 129679065
2,3-Diazaphenoxazine
CID 129778639

Frequently Asked Questions

What is the IUPAC name of 5H-pyridazino[3,4-b][1,4]benzoxazine?
The IUPAC name of 5H-pyridazino[3,4-b][1,4]benzoxazine (CID 82655411) is 5H-pyridazino[3,4-b][1,4]benzoxazine.
What is the SMILES notation for 5H-pyridazino[3,4-b][1,4]benzoxazine?
The canonical SMILES for 5H-pyridazino[3,4-b][1,4]benzoxazine is c1ccc2c(c1)Nc1ccnnc1O2.
What is the InChIKey of 5H-pyridazino[3,4-b][1,4]benzoxazine?
The InChIKey is FAHPNOUTDYSROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-2-4-9-7(3-1)12-8-5-6-11-13-10(8)14-9/h1-6,12H.
What are the key properties of 5H-pyridazino[3,4-b][1,4]benzoxazine?
5H-pyridazino[3,4-b][1,4]benzoxazine has a molecular weight of 185.19 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyridazino[3,4-b][1,4]benzoxazine is sourced from PubChem (CID 82655411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).