3-chloro-5-methylpyridazino[3,4-b][1,4]benzoxazine

C11H8ClN3O — CID 2832033

IUPAC3-chloro-5-methylpyridazino[3,4-b][1,4]benzoxazine
SMILESCN1c2ccccc2Oc2nnc(Cl)cc21
InChIInChI=1S/C11H8ClN3O/c1-15-7-4-2-3-5-9(7)16-11-8(15)6-10(12)13-14-11/h2-6H,1H3
InChIKeyMLCQNZQXVSPVEE-UHFFFAOYSA-N
MW233.66 g/mol
LogP3.00
Rot. Bonds

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

3-chloro-5-methylpyridazino[3,4-b][1,4]benzoxazine (PubChem CID 2832033) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 3-chloro-5-methylpyridazino[3,4-b][1,4]benzoxazine.

Molecular Properties

Compound Name3-chloro-5-methylpyridazino[3,4-b][1,4]benzoxazine
PubChem CID2832033
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name3-chloro-5-methylpyridazino[3,4-b][1,4]benzoxazine
SMILESCN1c2ccccc2Oc2nnc(Cl)cc21
InChIInChI=1S/C11H8ClN3O/c1-15-7-4-2-3-5-9(7)16-11-8(15)6-10(12)13-14-11/h2-6H,1H3
InChIKeyMLCQNZQXVSPVEE-UHFFFAOYSA-N
XLogP3.00
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methylpyridazino[3,4-b][1,4]benzoxazine?
The IUPAC name of 3-chloro-5-methylpyridazino[3,4-b][1,4]benzoxazine (CID 2832033) is 3-chloro-5-methylpyridazino[3,4-b][1,4]benzoxazine.
What is the SMILES notation for 3-chloro-5-methylpyridazino[3,4-b][1,4]benzoxazine?
The canonical SMILES for 3-chloro-5-methylpyridazino[3,4-b][1,4]benzoxazine is CN1c2ccccc2Oc2nnc(Cl)cc21.
What is the InChIKey of 3-chloro-5-methylpyridazino[3,4-b][1,4]benzoxazine?
The InChIKey is MLCQNZQXVSPVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c1-15-7-4-2-3-5-9(7)16-11-8(15)6-10(12)13-14-11/h2-6H,1H3.
What are the key properties of 3-chloro-5-methylpyridazino[3,4-b][1,4]benzoxazine?
3-chloro-5-methylpyridazino[3,4-b][1,4]benzoxazine has a molecular weight of 233.66 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methylpyridazino[3,4-b][1,4]benzoxazine is sourced from PubChem (CID 2832033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).