5-methyl-4,4a-dihydropyrido[2,3-c]pyridazine

C8H9N3 — CID 89041249

IUPAC5-methyl-4,4a-dihydropyrido[2,3-c]pyridazine
SMILESCC1=CC=NC2=NN=CCC12
InChIInChI=1S/C8H9N3/c1-6-2-4-9-8-7(6)3-5-10-11-8/h2,4-5,7H,3H2,1H3
InChIKeyOSBBCCXEENABOZ-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.42
Rot. Bonds

About 5-methyl-4,4a-dihydropyrido[2,3-c]pyridazine

5-methyl-4,4a-dihydropyrido[2,3-c]pyridazine (PubChem CID 89041249) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 5-methyl-4,4a-dihydropyrido[2,3-c]pyridazine.

Molecular Properties

Compound Name5-methyl-4,4a-dihydropyrido[2,3-c]pyridazine
PubChem CID89041249
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name5-methyl-4,4a-dihydropyrido[2,3-c]pyridazine
SMILESCC1=CC=NC2=NN=CCC12
InChIInChI=1S/C8H9N3/c1-6-2-4-9-8-7(6)3-5-10-11-8/h2,4-5,7H,3H2,1H3
InChIKeyOSBBCCXEENABOZ-UHFFFAOYSA-N
XLogP1.42
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,4a-dihydropyrido[2,3-c]pyridazine?
The IUPAC name of 5-methyl-4,4a-dihydropyrido[2,3-c]pyridazine (CID 89041249) is 5-methyl-4,4a-dihydropyrido[2,3-c]pyridazine.
What is the SMILES notation for 5-methyl-4,4a-dihydropyrido[2,3-c]pyridazine?
The canonical SMILES for 5-methyl-4,4a-dihydropyrido[2,3-c]pyridazine is CC1=CC=NC2=NN=CCC12.
What is the InChIKey of 5-methyl-4,4a-dihydropyrido[2,3-c]pyridazine?
The InChIKey is OSBBCCXEENABOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-6-2-4-9-8-7(6)3-5-10-11-8/h2,4-5,7H,3H2,1H3.
What are the key properties of 5-methyl-4,4a-dihydropyrido[2,3-c]pyridazine?
5-methyl-4,4a-dihydropyrido[2,3-c]pyridazine has a molecular weight of 147.18 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,4a-dihydropyrido[2,3-c]pyridazine is sourced from PubChem (CID 89041249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).