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

C10H6ClN3O — CID 9497096

IUPAC3-chloro-5H-pyridazino[3,4-b][1,4]benzoxazine
SMILESClc1cc2c(nn1)Oc1ccccc1N2
InChIInChI=1S/C10H6ClN3O/c11-9-5-7-10(14-13-9)15-8-4-2-1-3-6(8)12-7/h1-5,12H
InChIKeyCCCXLURSPRMUAO-UHFFFAOYSA-N
MW219.63 g/mol
LogP2.98
Rot. Bonds

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

3-chloro-5H-pyridazino[3,4-b][1,4]benzoxazine (PubChem CID 9497096) has the molecular formula C10H6ClN3O and a molecular weight of 219.63 g/mol. Its IUPAC name is 3-chloro-5H-pyridazino[3,4-b][1,4]benzoxazine.

Molecular Properties

Compound Name3-chloro-5H-pyridazino[3,4-b][1,4]benzoxazine
PubChem CID9497096
Molecular FormulaC10H6ClN3O
Molecular Weight219.63 g/mol
Exact Mass219.02
IUPAC Name3-chloro-5H-pyridazino[3,4-b][1,4]benzoxazine
SMILESClc1cc2c(nn1)Oc1ccccc1N2
InChIInChI=1S/C10H6ClN3O/c11-9-5-7-10(14-13-9)15-8-4-2-1-3-6(8)12-7/h1-5,12H
InChIKeyCCCXLURSPRMUAO-UHFFFAOYSA-N
XLogP2.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5H-pyridazino[3,4-b][1,4]benzoxazine?
The IUPAC name of 3-chloro-5H-pyridazino[3,4-b][1,4]benzoxazine (CID 9497096) is 3-chloro-5H-pyridazino[3,4-b][1,4]benzoxazine.
What is the SMILES notation for 3-chloro-5H-pyridazino[3,4-b][1,4]benzoxazine?
The canonical SMILES for 3-chloro-5H-pyridazino[3,4-b][1,4]benzoxazine is Clc1cc2c(nn1)Oc1ccccc1N2.
What is the InChIKey of 3-chloro-5H-pyridazino[3,4-b][1,4]benzoxazine?
The InChIKey is CCCXLURSPRMUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O/c11-9-5-7-10(14-13-9)15-8-4-2-1-3-6(8)12-7/h1-5,12H.
What are the key properties of 3-chloro-5H-pyridazino[3,4-b][1,4]benzoxazine?
3-chloro-5H-pyridazino[3,4-b][1,4]benzoxazine has a molecular weight of 219.63 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5H-pyridazino[3,4-b][1,4]benzoxazine is sourced from PubChem (CID 9497096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).