5-methyl-4-phenyl-2H-pyridazino[4,3-b]indol-3-one

C17H13N3O — CID 6320069

IUPAC5-methyl-4-phenyl-2H-pyridazino[4,3-b]indol-3-one
SMILESCn1c2ccccc2c2n[nH]c(=O)c(-c3ccccc3)c21
InChIInChI=1S/C17H13N3O/c1-20-13-10-6-5-9-12(13)15-16(20)14(17(21)19-18-15)11-7-3-2-4-8-11/h2-10H,1H3,(H,19,21)
InChIKeyGPNAPWUQLYHNIX-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.08
Rot. Bonds1

About 5-methyl-4-phenyl-2H-pyridazino[4,3-b]indol-3-one

5-methyl-4-phenyl-2H-pyridazino[4,3-b]indol-3-one (PubChem CID 6320069) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-methyl-4-phenyl-2H-pyridazino[4,3-b]indol-3-one.

Molecular Properties

Compound Name5-methyl-4-phenyl-2H-pyridazino[4,3-b]indol-3-one
PubChem CID6320069
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name5-methyl-4-phenyl-2H-pyridazino[4,3-b]indol-3-one
SMILESCn1c2ccccc2c2n[nH]c(=O)c(-c3ccccc3)c21
InChIInChI=1S/C17H13N3O/c1-20-13-10-6-5-9-12(13)15-16(20)14(17(21)19-18-15)11-7-3-2-4-8-11/h2-10H,1H3,(H,19,21)
InChIKeyGPNAPWUQLYHNIX-UHFFFAOYSA-N
XLogP3.08
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-2H-pyridazino[4,3-b]indol-3-one?
The IUPAC name of 5-methyl-4-phenyl-2H-pyridazino[4,3-b]indol-3-one (CID 6320069) is 5-methyl-4-phenyl-2H-pyridazino[4,3-b]indol-3-one.
What is the SMILES notation for 5-methyl-4-phenyl-2H-pyridazino[4,3-b]indol-3-one?
The canonical SMILES for 5-methyl-4-phenyl-2H-pyridazino[4,3-b]indol-3-one is Cn1c2ccccc2c2n[nH]c(=O)c(-c3ccccc3)c21.
What is the InChIKey of 5-methyl-4-phenyl-2H-pyridazino[4,3-b]indol-3-one?
The InChIKey is GPNAPWUQLYHNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-20-13-10-6-5-9-12(13)15-16(20)14(17(21)19-18-15)11-7-3-2-4-8-11/h2-10H,1H3,(H,19,21).
What are the key properties of 5-methyl-4-phenyl-2H-pyridazino[4,3-b]indol-3-one?
5-methyl-4-phenyl-2H-pyridazino[4,3-b]indol-3-one has a molecular weight of 275.31 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-2H-pyridazino[4,3-b]indol-3-one is sourced from PubChem (CID 6320069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).