3-cyclopropyl-4-phenylpyridazine

C13H12N2 — CID 89415459

IUPAC3-cyclopropyl-4-phenylpyridazine
SMILESc1ccc(-c2ccnnc2C2CC2)cc1
InChIInChI=1S/C13H12N2/c1-2-4-10(5-3-1)12-8-9-14-15-13(12)11-6-7-11/h1-5,8-9,11H,6-7H2
InChIKeyFLJAFOKIUXFXIN-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.02
Rot. Bonds2

About 3-cyclopropyl-4-phenylpyridazine

3-cyclopropyl-4-phenylpyridazine (PubChem CID 89415459) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-cyclopropyl-4-phenylpyridazine.

Molecular Properties

Compound Name3-cyclopropyl-4-phenylpyridazine
PubChem CID89415459
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name3-cyclopropyl-4-phenylpyridazine
SMILESc1ccc(-c2ccnnc2C2CC2)cc1
InChIInChI=1S/C13H12N2/c1-2-4-10(5-3-1)12-8-9-14-15-13(12)11-6-7-11/h1-5,8-9,11H,6-7H2
InChIKeyFLJAFOKIUXFXIN-UHFFFAOYSA-N
XLogP3.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-phenylpyridazine?
The IUPAC name of 3-cyclopropyl-4-phenylpyridazine (CID 89415459) is 3-cyclopropyl-4-phenylpyridazine.
What is the SMILES notation for 3-cyclopropyl-4-phenylpyridazine?
The canonical SMILES for 3-cyclopropyl-4-phenylpyridazine is c1ccc(-c2ccnnc2C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-4-phenylpyridazine?
The InChIKey is FLJAFOKIUXFXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-4-10(5-3-1)12-8-9-14-15-13(12)11-6-7-11/h1-5,8-9,11H,6-7H2.
What are the key properties of 3-cyclopropyl-4-phenylpyridazine?
3-cyclopropyl-4-phenylpyridazine has a molecular weight of 196.25 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-phenylpyridazine is sourced from PubChem (CID 89415459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).