3-cyclopentylpyridazine

C9H12N2 — CID 57011827

IUPAC3-cyclopentylpyridazine
SMILESc1cnnc(C2CCCC2)c1
InChIInChI=1S/C9H12N2/c1-2-5-8(4-1)9-6-3-7-10-11-9/h3,6-8H,1-2,4-5H2
InChIKeyHNOIELPHTNNKIW-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.13
Rot. Bonds1

About 3-cyclopentylpyridazine

3-cyclopentylpyridazine (PubChem CID 57011827) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3-cyclopentylpyridazine.

Molecular Properties

Compound Name3-cyclopentylpyridazine
PubChem CID57011827
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3-cyclopentylpyridazine
SMILESc1cnnc(C2CCCC2)c1
InChIInChI=1S/C9H12N2/c1-2-5-8(4-1)9-6-3-7-10-11-9/h3,6-8H,1-2,4-5H2
InChIKeyHNOIELPHTNNKIW-UHFFFAOYSA-N
XLogP2.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylpyridazine?
The IUPAC name of 3-cyclopentylpyridazine (CID 57011827) is 3-cyclopentylpyridazine.
What is the SMILES notation for 3-cyclopentylpyridazine?
The canonical SMILES for 3-cyclopentylpyridazine is c1cnnc(C2CCCC2)c1.
What is the InChIKey of 3-cyclopentylpyridazine?
The InChIKey is HNOIELPHTNNKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-5-8(4-1)9-6-3-7-10-11-9/h3,6-8H,1-2,4-5H2.
What are the key properties of 3-cyclopentylpyridazine?
3-cyclopentylpyridazine has a molecular weight of 148.21 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylpyridazine is sourced from PubChem (CID 57011827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).