1-cyclopentyl-3,6-dimethyl-4H-pyridazine

C11H18N2 — CID 167111827

IUPAC1-cyclopentyl-3,6-dimethyl-4H-pyridazine
SMILESCC1=CCC(C)=NN1C1CCCC1
InChIInChI=1S/C11H18N2/c1-9-7-8-10(2)13(12-9)11-5-3-4-6-11/h8,11H,3-7H2,1-2H3
InChIKeyBGHVUZSQTCHXLX-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.91
Rot. Bonds1

About 1-cyclopentyl-3,6-dimethyl-4H-pyridazine

1-cyclopentyl-3,6-dimethyl-4H-pyridazine (PubChem CID 167111827) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-cyclopentyl-3,6-dimethyl-4H-pyridazine.

Molecular Properties

Compound Name1-cyclopentyl-3,6-dimethyl-4H-pyridazine
PubChem CID167111827
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-cyclopentyl-3,6-dimethyl-4H-pyridazine
SMILESCC1=CCC(C)=NN1C1CCCC1
InChIInChI=1S/C11H18N2/c1-9-7-8-10(2)13(12-9)11-5-3-4-6-11/h8,11H,3-7H2,1-2H3
InChIKeyBGHVUZSQTCHXLX-UHFFFAOYSA-N
XLogP2.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3,6-dimethyl-4H-pyridazine?
The IUPAC name of 1-cyclopentyl-3,6-dimethyl-4H-pyridazine (CID 167111827) is 1-cyclopentyl-3,6-dimethyl-4H-pyridazine.
What is the SMILES notation for 1-cyclopentyl-3,6-dimethyl-4H-pyridazine?
The canonical SMILES for 1-cyclopentyl-3,6-dimethyl-4H-pyridazine is CC1=CCC(C)=NN1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3,6-dimethyl-4H-pyridazine?
The InChIKey is BGHVUZSQTCHXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-7-8-10(2)13(12-9)11-5-3-4-6-11/h8,11H,3-7H2,1-2H3.
What are the key properties of 1-cyclopentyl-3,6-dimethyl-4H-pyridazine?
1-cyclopentyl-3,6-dimethyl-4H-pyridazine has a molecular weight of 178.28 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3,6-dimethyl-4H-pyridazine is sourced from PubChem (CID 167111827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).