8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one

C11H9N3O — CID 135447995

IUPAC8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one
SMILESCc1ccc2[nH]c3c(=O)[nH]ncc3c2c1
InChIInChI=1S/C11H9N3O/c1-6-2-3-9-7(4-6)8-5-12-14-11(15)10(8)13-9/h2-5,13H,1H3,(H,14,15)
InChIKeyVBWJMUHVGCOFHX-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.71
Rot. Bonds

About 8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one

8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one (PubChem CID 135447995) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one
PubChem CID135447995
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one
SMILESCc1ccc2[nH]c3c(=O)[nH]ncc3c2c1
InChIInChI=1S/C11H9N3O/c1-6-2-3-9-7(4-6)8-5-12-14-11(15)10(8)13-9/h2-5,13H,1H3,(H,14,15)
InChIKeyVBWJMUHVGCOFHX-UHFFFAOYSA-N
XLogP1.71
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one?
The IUPAC name of 8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one (CID 135447995) is 8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one?
The canonical SMILES for 8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one is Cc1ccc2[nH]c3c(=O)[nH]ncc3c2c1.
What is the InChIKey of 8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one?
The InChIKey is VBWJMUHVGCOFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-6-2-3-9-7(4-6)8-5-12-14-11(15)10(8)13-9/h2-5,13H,1H3,(H,14,15).
What are the key properties of 8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one?
8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one has a molecular weight of 199.21 g/mol, XLogP of 1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 135447995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).