5H-pyridazino[4,5-b]indole-4-carbaldehyde

C11H7N3O — CID 96621668

IUPAC5H-pyridazino[4,5-b]indole-4-carbaldehyde
SMILESO=Cc1nncc2c1[nH]c1ccccc12
InChIInChI=1S/C11H7N3O/c15-6-10-11-8(5-12-14-10)7-3-1-2-4-9(7)13-11/h1-6,13H
InChIKeyOTGZBTJVYIIDLQ-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.92
Rot. Bonds1

About 5H-pyridazino[4,5-b]indole-4-carbaldehyde

5H-pyridazino[4,5-b]indole-4-carbaldehyde (PubChem CID 96621668) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is 5H-pyridazino[4,5-b]indole-4-carbaldehyde.

Molecular Properties

Compound Name5H-pyridazino[4,5-b]indole-4-carbaldehyde
PubChem CID96621668
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Name5H-pyridazino[4,5-b]indole-4-carbaldehyde
SMILESO=Cc1nncc2c1[nH]c1ccccc12
InChIInChI=1S/C11H7N3O/c15-6-10-11-8(5-12-14-10)7-3-1-2-4-9(7)13-11/h1-6,13H
InChIKeyOTGZBTJVYIIDLQ-UHFFFAOYSA-N
XLogP1.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-methyl-9H-pyrido[3,4-b]indole-1-carbaldehyde
CID 82394891
9H-carbazole-1-carbaldehyde
CID 11745551
1,2-dimethoxy-3-methyl-9H-carbazole
CID 121392171
5,6-dideuterio-11,12-dihydroindolo[2,3-a]carbazole
CID 172776926
9H-carbazole
CID 66668984
5-methyl-11H-benzo[a]carbazole
CID 6454977
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437
N-(9H-pyrido[3,4-b]indol-1-yl)formamide
CID 174580946
5,10-dihydroindolo[3,2-b]indole;molecular hydrogen
CID 145382713
1-[1-(3-formyl-9H-carbazol-1-yl)ethyl]-9H-carbazole-3-carbaldehyde
CID 23282236
1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole
CID 118037607

Frequently Asked Questions

What is the IUPAC name of 5H-pyridazino[4,5-b]indole-4-carbaldehyde?
The IUPAC name of 5H-pyridazino[4,5-b]indole-4-carbaldehyde (CID 96621668) is 5H-pyridazino[4,5-b]indole-4-carbaldehyde.
What is the SMILES notation for 5H-pyridazino[4,5-b]indole-4-carbaldehyde?
The canonical SMILES for 5H-pyridazino[4,5-b]indole-4-carbaldehyde is O=Cc1nncc2c1[nH]c1ccccc12.
What is the InChIKey of 5H-pyridazino[4,5-b]indole-4-carbaldehyde?
The InChIKey is OTGZBTJVYIIDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c15-6-10-11-8(5-12-14-10)7-3-1-2-4-9(7)13-11/h1-6,13H.
What are the key properties of 5H-pyridazino[4,5-b]indole-4-carbaldehyde?
5H-pyridazino[4,5-b]indole-4-carbaldehyde has a molecular weight of 197.20 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyridazino[4,5-b]indole-4-carbaldehyde is sourced from PubChem (CID 96621668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).