7-methyl-8H-cyclohepta[d]pyridazine

C10H10N2 — CID 143195380

IUPAC7-methyl-8H-cyclohepta[d]pyridazine
SMILESCC1=CC=c2cnncc2=CC1
InChIInChI=1S/C10H10N2/c1-8-2-4-9-6-11-12-7-10(9)5-3-8/h2,4-7H,3H2,1H3
InChIKeyGBVACTMNOAVAPM-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.39
Rot. Bonds

About 7-methyl-8H-cyclohepta[d]pyridazine

7-methyl-8H-cyclohepta[d]pyridazine (PubChem CID 143195380) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 7-methyl-8H-cyclohepta[d]pyridazine.

Molecular Properties

Compound Name7-methyl-8H-cyclohepta[d]pyridazine
PubChem CID143195380
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name7-methyl-8H-cyclohepta[d]pyridazine
SMILESCC1=CC=c2cnncc2=CC1
InChIInChI=1S/C10H10N2/c1-8-2-4-9-6-11-12-7-10(9)5-3-8/h2,4-7H,3H2,1H3
InChIKeyGBVACTMNOAVAPM-UHFFFAOYSA-N
XLogP0.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-8H-cyclohepta[d]pyridazine?
The IUPAC name of 7-methyl-8H-cyclohepta[d]pyridazine (CID 143195380) is 7-methyl-8H-cyclohepta[d]pyridazine.
What is the SMILES notation for 7-methyl-8H-cyclohepta[d]pyridazine?
The canonical SMILES for 7-methyl-8H-cyclohepta[d]pyridazine is CC1=CC=c2cnncc2=CC1.
What is the InChIKey of 7-methyl-8H-cyclohepta[d]pyridazine?
The InChIKey is GBVACTMNOAVAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-8-2-4-9-6-11-12-7-10(9)5-3-8/h2,4-7H,3H2,1H3.
What are the key properties of 7-methyl-8H-cyclohepta[d]pyridazine?
7-methyl-8H-cyclohepta[d]pyridazine has a molecular weight of 158.20 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8H-cyclohepta[d]pyridazine is sourced from PubChem (CID 143195380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).