4-(4-propylphenyl)-1H-pyridazin-6-one

C13H14N2O — CID 106517178

IUPAC4-(4-propylphenyl)-1H-pyridazin-6-one
SMILESCCCc1ccc(-c2cn[nH]c(=O)c2)cc1
InChIInChI=1S/C13H14N2O/c1-2-3-10-4-6-11(7-5-10)12-8-13(16)15-14-9-12/h4-9H,2-3H2,1H3,(H,15,16)
InChIKeyBLIVLDBGONQGCE-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.39
Rot. Bonds3

About 4-(4-propylphenyl)-1H-pyridazin-6-one

4-(4-propylphenyl)-1H-pyridazin-6-one (PubChem CID 106517178) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(4-propylphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(4-propylphenyl)-1H-pyridazin-6-one
PubChem CID106517178
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-(4-propylphenyl)-1H-pyridazin-6-one
SMILESCCCc1ccc(-c2cn[nH]c(=O)c2)cc1
InChIInChI=1S/C13H14N2O/c1-2-3-10-4-6-11(7-5-10)12-8-13(16)15-14-9-12/h4-9H,2-3H2,1H3,(H,15,16)
InChIKeyBLIVLDBGONQGCE-UHFFFAOYSA-N
XLogP2.39
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-propylphenyl)-1H-pyrazole-4-carbaldehyde
CID 28948694
4-(4-butylphenoxy)-1H-pyridazin-6-one
CID 103241860
5-(4-propylphenyl)pyrimidine
CID 89220429
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
4-[2-(4-fluorophenyl)ethylamino]-1H-pyridazin-6-one
CID 114391879
4-(4-propylphenyl)-3H-1,3-thiazol-2-one
CID 43286737
2-ethyl-1-methyl-4-(4-propylphenyl)benzene
CID 123879424
2-fluoro-5-[4-(4-propylphenyl)phenyl]pyridine
CID 19765553
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylphenyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(4-propylphenyl)-1H-pyridazin-6-one (CID 106517178) is 4-(4-propylphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(4-propylphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(4-propylphenyl)-1H-pyridazin-6-one is CCCc1ccc(-c2cn[nH]c(=O)c2)cc1.
What is the InChIKey of 4-(4-propylphenyl)-1H-pyridazin-6-one?
The InChIKey is BLIVLDBGONQGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-3-10-4-6-11(7-5-10)12-8-13(16)15-14-9-12/h4-9H,2-3H2,1H3,(H,15,16).
What are the key properties of 4-(4-propylphenyl)-1H-pyridazin-6-one?
4-(4-propylphenyl)-1H-pyridazin-6-one has a molecular weight of 214.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 106517178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).