5-methyl-4,9a-dihydro-3H-cyclohepta[c]pyridazine

C10H12N2 — CID 163574547

IUPAC5-methyl-4,9a-dihydro-3H-cyclohepta[c]pyridazine
SMILESCC1=C2CCN=NC2C=CC=C1
InChIInChI=1S/C10H12N2/c1-8-4-2-3-5-10-9(8)6-7-11-12-10/h2-5,10H,6-7H2,1H3
InChIKeyGCHYKTCTQKBKIC-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.65
Rot. Bonds

About 5-methyl-4,9a-dihydro-3H-cyclohepta[c]pyridazine

5-methyl-4,9a-dihydro-3H-cyclohepta[c]pyridazine (PubChem CID 163574547) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5-methyl-4,9a-dihydro-3H-cyclohepta[c]pyridazine.

Molecular Properties

Compound Name5-methyl-4,9a-dihydro-3H-cyclohepta[c]pyridazine
PubChem CID163574547
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5-methyl-4,9a-dihydro-3H-cyclohepta[c]pyridazine
SMILESCC1=C2CCN=NC2C=CC=C1
InChIInChI=1S/C10H12N2/c1-8-4-2-3-5-10-9(8)6-7-11-12-10/h2-5,10H,6-7H2,1H3
InChIKeyGCHYKTCTQKBKIC-UHFFFAOYSA-N
XLogP2.65
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,9a-dihydro-3H-cyclohepta[c]pyridazine?
The IUPAC name of 5-methyl-4,9a-dihydro-3H-cyclohepta[c]pyridazine (CID 163574547) is 5-methyl-4,9a-dihydro-3H-cyclohepta[c]pyridazine.
What is the SMILES notation for 5-methyl-4,9a-dihydro-3H-cyclohepta[c]pyridazine?
The canonical SMILES for 5-methyl-4,9a-dihydro-3H-cyclohepta[c]pyridazine is CC1=C2CCN=NC2C=CC=C1.
What is the InChIKey of 5-methyl-4,9a-dihydro-3H-cyclohepta[c]pyridazine?
The InChIKey is GCHYKTCTQKBKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8-4-2-3-5-10-9(8)6-7-11-12-10/h2-5,10H,6-7H2,1H3.
What are the key properties of 5-methyl-4,9a-dihydro-3H-cyclohepta[c]pyridazine?
5-methyl-4,9a-dihydro-3H-cyclohepta[c]pyridazine has a molecular weight of 160.22 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,9a-dihydro-3H-cyclohepta[c]pyridazine is sourced from PubChem (CID 163574547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).