5-methylpyridazino[4,5-b]indole

C11H9N3 — CID 12584871

IUPAC5-methylpyridazino[4,5-b]indole
SMILESCn1c2ccccc2c2cnncc21
InChIInChI=1S/C11H9N3/c1-14-10-5-3-2-4-8(10)9-6-12-13-7-11(9)14/h2-7H,1H3
InChIKeyCMHPHXQGDWHXTC-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.12
Rot. Bonds

About 5-methylpyridazino[4,5-b]indole

5-methylpyridazino[4,5-b]indole (PubChem CID 12584871) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-methylpyridazino[4,5-b]indole.

Molecular Properties

Compound Name5-methylpyridazino[4,5-b]indole
PubChem CID12584871
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name5-methylpyridazino[4,5-b]indole
SMILESCn1c2ccccc2c2cnncc21
InChIInChI=1S/C11H9N3/c1-14-10-5-3-2-4-8(10)9-6-12-13-7-11(9)14/h2-7H,1H3
InChIKeyCMHPHXQGDWHXTC-UHFFFAOYSA-N
XLogP2.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylpyridazino[4,5-b]indole?
The IUPAC name of 5-methylpyridazino[4,5-b]indole (CID 12584871) is 5-methylpyridazino[4,5-b]indole.
What is the SMILES notation for 5-methylpyridazino[4,5-b]indole?
The canonical SMILES for 5-methylpyridazino[4,5-b]indole is Cn1c2ccccc2c2cnncc21.
What is the InChIKey of 5-methylpyridazino[4,5-b]indole?
The InChIKey is CMHPHXQGDWHXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-14-10-5-3-2-4-8(10)9-6-12-13-7-11(9)14/h2-7H,1H3.
What are the key properties of 5-methylpyridazino[4,5-b]indole?
5-methylpyridazino[4,5-b]indole has a molecular weight of 183.21 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyridazino[4,5-b]indole is sourced from PubChem (CID 12584871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).