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

C10H7N3O — CID 135574833

IUPAC3,5-dihydropyridazino[4,5-b]indol-4-one
SMILESO=c1[nH]ncc2c1[nH]c1ccccc12
InChIInChI=1S/C10H7N3O/c14-10-9-7(5-11-13-10)6-3-1-2-4-8(6)12-9/h1-5,12H,(H,13,14)
InChIKeyPPZLFMXDTOJEPB-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.40
Rot. Bonds

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

3,5-dihydropyridazino[4,5-b]indol-4-one (PubChem CID 135574833) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 3,5-dihydropyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name3,5-dihydropyridazino[4,5-b]indol-4-one
PubChem CID135574833
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name3,5-dihydropyridazino[4,5-b]indol-4-one
SMILESO=c1[nH]ncc2c1[nH]c1ccccc12
InChIInChI=1S/C10H7N3O/c14-10-9-7(5-11-13-10)6-3-1-2-4-8(6)12-9/h1-5,12H,(H,13,14)
InChIKeyPPZLFMXDTOJEPB-UHFFFAOYSA-N
XLogP1.40
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

FG-7142
CID 4375
Indole-2-carboxaldehyde
CID 96389
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1H-indole-2-carbohydrazide
CID 231954
2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 285865
N-Phenyl-1H-indole-2-carboxamide
CID 589138
N-methyl-N-phenyl-1H-indole-2-carboxamide
CID 821483
2-(piperazin-1-ylcarbonyl)-1H-indole
CID 921599
N-Benzyl-1H-indole-2-carboxamide
CID 8023988
5-bromo-3-phenyl-1H-indole-2-carbohydrazide
CID 949916
(1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4060730
(5-fluoro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4906599

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydropyridazino[4,5-b]indol-4-one?
The IUPAC name of 3,5-dihydropyridazino[4,5-b]indol-4-one (CID 135574833) is 3,5-dihydropyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 3,5-dihydropyridazino[4,5-b]indol-4-one?
The canonical SMILES for 3,5-dihydropyridazino[4,5-b]indol-4-one is O=c1[nH]ncc2c1[nH]c1ccccc12.
What is the InChIKey of 3,5-dihydropyridazino[4,5-b]indol-4-one?
The InChIKey is PPZLFMXDTOJEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c14-10-9-7(5-11-13-10)6-3-1-2-4-8(6)12-9/h1-5,12H,(H,13,14).
What are the key properties of 3,5-dihydropyridazino[4,5-b]indol-4-one?
3,5-dihydropyridazino[4,5-b]indol-4-one has a molecular weight of 185.19 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydropyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 135574833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).