5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one

C12H11N3O — CID 162683751

IUPAC5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one
SMILESCc1ccc2c3cn[nH]c(=O)c3n(C)c2c1
InChIInChI=1S/C12H11N3O/c1-7-3-4-8-9-6-13-14-12(16)11(9)15(2)10(8)5-7/h3-6H,1-2H3,(H,14,16)
InChIKeyWCLQBAHXCAVPJP-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.72
Rot. Bonds

About 5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one

5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one (PubChem CID 162683751) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one
PubChem CID162683751
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one
SMILESCc1ccc2c3cn[nH]c(=O)c3n(C)c2c1
InChIInChI=1S/C12H11N3O/c1-7-3-4-8-9-6-13-14-12(16)11(9)15(2)10(8)5-7/h3-6H,1-2H3,(H,14,16)
InChIKeyWCLQBAHXCAVPJP-UHFFFAOYSA-N
XLogP1.72
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-Dimethyl-16-(2-piperidin-1-ylethyl)-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one
CID 71626523
10-(2-(dimethylamino)ethyl)-2,2-dimethyl-2,3,5,10-tetrahydro-[1,2]diazepino[3,4,5,6-def]carbazol-6(1H)-one
CID 71626462
16-[2-(Diethylamino)ethyl]-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one
CID 71626525
10-(2-(dimethylamino)ethyl)-8-fluoro-2,2-dimethyl-2,3,5,10-tetrahydro-[1,2]diazepino[3,4,5,6-def]carbazol-6(1H)-one
CID 89657246
2-Isopropyl-2,3,4,9-tetrahydro-2,4,9,10-tetraazacyclohepta[def]fluoren-8(1H)-one
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CID 136242930
8-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one
CID 135447995
(Z)-N'-(1-(1H-indol-3-yl)ethylidene)picolinohydrazide
CID 135541810
3-phenyl-1H-indole-2-carbohydrazide
CID 2763658
4H-Pyridazino(4,5-b)indol-4-one, 3,5-dihydro-
CID 135574833
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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one?
The IUPAC name of 5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one (CID 162683751) is 5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one?
The canonical SMILES for 5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one is Cc1ccc2c3cn[nH]c(=O)c3n(C)c2c1.
What is the InChIKey of 5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one?
The InChIKey is WCLQBAHXCAVPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-7-3-4-8-9-6-13-14-12(16)11(9)15(2)10(8)5-7/h3-6H,1-2H3,(H,14,16).
What are the key properties of 5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one?
5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one has a molecular weight of 213.24 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 162683751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).