2-cyclopropyl-4-phenylpyridazin-3-one

C13H12N2O — CID 175867773

IUPAC2-cyclopropyl-4-phenylpyridazin-3-one
SMILESO=c1c(-c2ccccc2)ccnn1C1CC1
InChIInChI=1S/C13H12N2O/c16-13-12(10-4-2-1-3-5-10)8-9-14-15(13)11-6-7-11/h1-5,8-9,11H,6-7H2
InChIKeySJUBCYGUHOSDEC-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.25
Rot. Bonds2

About 2-cyclopropyl-4-phenylpyridazin-3-one

2-cyclopropyl-4-phenylpyridazin-3-one (PubChem CID 175867773) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-cyclopropyl-4-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-cyclopropyl-4-phenylpyridazin-3-one
PubChem CID175867773
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-cyclopropyl-4-phenylpyridazin-3-one
SMILESO=c1c(-c2ccccc2)ccnn1C1CC1
InChIInChI=1S/C13H12N2O/c16-13-12(10-4-2-1-3-5-10)8-9-14-15(13)11-6-7-11/h1-5,8-9,11H,6-7H2
InChIKeySJUBCYGUHOSDEC-UHFFFAOYSA-N
XLogP2.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-phenylpyridazin-3-one?
The IUPAC name of 2-cyclopropyl-4-phenylpyridazin-3-one (CID 175867773) is 2-cyclopropyl-4-phenylpyridazin-3-one.
What is the SMILES notation for 2-cyclopropyl-4-phenylpyridazin-3-one?
The canonical SMILES for 2-cyclopropyl-4-phenylpyridazin-3-one is O=c1c(-c2ccccc2)ccnn1C1CC1.
What is the InChIKey of 2-cyclopropyl-4-phenylpyridazin-3-one?
The InChIKey is SJUBCYGUHOSDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-13-12(10-4-2-1-3-5-10)8-9-14-15(13)11-6-7-11/h1-5,8-9,11H,6-7H2.
What are the key properties of 2-cyclopropyl-4-phenylpyridazin-3-one?
2-cyclopropyl-4-phenylpyridazin-3-one has a molecular weight of 212.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-phenylpyridazin-3-one is sourced from PubChem (CID 175867773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).