2,3,4,4a,5,9b-hexahydro-1H-pyridazino[4,5-b]indole

C10H13N3 — CID 134995508

IUPAC2,3,4,4a,5,9b-hexahydro-1H-pyridazino[4,5-b]indole
SMILESc1ccc2c(c1)NC1CNNCC21
InChIInChI=1S/C10H13N3/c1-2-4-9-7(3-1)8-5-11-12-6-10(8)13-9/h1-4,8,10-13H,5-6H2
InChIKeyOGAQUOKZVBFRQC-UHFFFAOYSA-N
MW175.24 g/mol
LogP0.67
Rot. Bonds

About 2,3,4,4a,5,9b-hexahydro-1H-pyridazino[4,5-b]indole

2,3,4,4a,5,9b-hexahydro-1H-pyridazino[4,5-b]indole (PubChem CID 134995508) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 2,3,4,4a,5,9b-hexahydro-1H-pyridazino[4,5-b]indole.

Molecular Properties

Compound Name2,3,4,4a,5,9b-hexahydro-1H-pyridazino[4,5-b]indole
PubChem CID134995508
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name2,3,4,4a,5,9b-hexahydro-1H-pyridazino[4,5-b]indole
SMILESc1ccc2c(c1)NC1CNNCC21
InChIInChI=1S/C10H13N3/c1-2-4-9-7(3-1)8-5-11-12-6-10(8)13-9/h1-4,8,10-13H,5-6H2
InChIKeyOGAQUOKZVBFRQC-UHFFFAOYSA-N
XLogP0.67
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,9b-hexahydro-1H-pyridazino[4,5-b]indole?
The IUPAC name of 2,3,4,4a,5,9b-hexahydro-1H-pyridazino[4,5-b]indole (CID 134995508) is 2,3,4,4a,5,9b-hexahydro-1H-pyridazino[4,5-b]indole.
What is the SMILES notation for 2,3,4,4a,5,9b-hexahydro-1H-pyridazino[4,5-b]indole?
The canonical SMILES for 2,3,4,4a,5,9b-hexahydro-1H-pyridazino[4,5-b]indole is c1ccc2c(c1)NC1CNNCC21.
What is the InChIKey of 2,3,4,4a,5,9b-hexahydro-1H-pyridazino[4,5-b]indole?
The InChIKey is OGAQUOKZVBFRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-4-9-7(3-1)8-5-11-12-6-10(8)13-9/h1-4,8,10-13H,5-6H2.
What are the key properties of 2,3,4,4a,5,9b-hexahydro-1H-pyridazino[4,5-b]indole?
2,3,4,4a,5,9b-hexahydro-1H-pyridazino[4,5-b]indole has a molecular weight of 175.24 g/mol, XLogP of 0.67, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,9b-hexahydro-1H-pyridazino[4,5-b]indole is sourced from PubChem (CID 134995508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).