2-propylpyridazin-3-one

C7H10N2O — CID 21479118

IUPAC2-propylpyridazin-3-one
SMILESCCCn1ncccc1=O
InChIInChI=1S/C7H10N2O/c1-2-6-9-7(10)4-3-5-8-9/h3-5H,2,6H2,1H3
InChIKeySQEQTADOQGVITL-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.65
Rot. Bonds2

About 2-propylpyridazin-3-one

2-propylpyridazin-3-one (PubChem CID 21479118) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-propylpyridazin-3-one.

Molecular Properties

Compound Name2-propylpyridazin-3-one
PubChem CID21479118
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-propylpyridazin-3-one
SMILESCCCn1ncccc1=O
InChIInChI=1S/C7H10N2O/c1-2-6-9-7(10)4-3-5-8-9/h3-5H,2,6H2,1H3
InChIKeySQEQTADOQGVITL-UHFFFAOYSA-N
XLogP0.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propylpyridazin-3-one?
The IUPAC name of 2-propylpyridazin-3-one (CID 21479118) is 2-propylpyridazin-3-one.
What is the SMILES notation for 2-propylpyridazin-3-one?
The canonical SMILES for 2-propylpyridazin-3-one is CCCn1ncccc1=O.
What is the InChIKey of 2-propylpyridazin-3-one?
The InChIKey is SQEQTADOQGVITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-6-9-7(10)4-3-5-8-9/h3-5H,2,6H2,1H3.
What are the key properties of 2-propylpyridazin-3-one?
2-propylpyridazin-3-one has a molecular weight of 138.17 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylpyridazin-3-one is sourced from PubChem (CID 21479118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).