3-methyl-6-(1,2,2-trimethylcyclopentyl)pyridazine

C13H20N2 — CID 86178150

IUPAC3-methyl-6-(1,2,2-trimethylcyclopentyl)pyridazine
SMILESCc1ccc(C2(C)CCCC2(C)C)nn1
InChIInChI=1S/C13H20N2/c1-10-6-7-11(15-14-10)13(4)9-5-8-12(13,2)3/h6-7H,5,8-9H2,1-4H3
InChIKeyDFJQJVPEUIVLSQ-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.25
Rot. Bonds1

About 3-methyl-6-(1,2,2-trimethylcyclopentyl)pyridazine

3-methyl-6-(1,2,2-trimethylcyclopentyl)pyridazine (PubChem CID 86178150) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-methyl-6-(1,2,2-trimethylcyclopentyl)pyridazine.

Molecular Properties

Compound Name3-methyl-6-(1,2,2-trimethylcyclopentyl)pyridazine
PubChem CID86178150
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-methyl-6-(1,2,2-trimethylcyclopentyl)pyridazine
SMILESCc1ccc(C2(C)CCCC2(C)C)nn1
InChIInChI=1S/C13H20N2/c1-10-6-7-11(15-14-10)13(4)9-5-8-12(13,2)3/h6-7H,5,8-9H2,1-4H3
InChIKeyDFJQJVPEUIVLSQ-UHFFFAOYSA-N
XLogP3.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(1,2,2-trimethylcyclopentyl)pyridazine?
The IUPAC name of 3-methyl-6-(1,2,2-trimethylcyclopentyl)pyridazine (CID 86178150) is 3-methyl-6-(1,2,2-trimethylcyclopentyl)pyridazine.
What is the SMILES notation for 3-methyl-6-(1,2,2-trimethylcyclopentyl)pyridazine?
The canonical SMILES for 3-methyl-6-(1,2,2-trimethylcyclopentyl)pyridazine is Cc1ccc(C2(C)CCCC2(C)C)nn1.
What is the InChIKey of 3-methyl-6-(1,2,2-trimethylcyclopentyl)pyridazine?
The InChIKey is DFJQJVPEUIVLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-6-7-11(15-14-10)13(4)9-5-8-12(13,2)3/h6-7H,5,8-9H2,1-4H3.
What are the key properties of 3-methyl-6-(1,2,2-trimethylcyclopentyl)pyridazine?
3-methyl-6-(1,2,2-trimethylcyclopentyl)pyridazine has a molecular weight of 204.32 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(1,2,2-trimethylcyclopentyl)pyridazine is sourced from PubChem (CID 86178150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).