4-chloro-2-propylpyridazin-3-one

C7H9ClN2O — CID 178099240

IUPAC4-chloro-2-propylpyridazin-3-one
SMILESCCCn1nccc(Cl)c1=O
InChIInChI=1S/C7H9ClN2O/c1-2-5-10-7(11)6(8)3-4-9-10/h3-4H,2,5H2,1H3
InChIKeyGFXXWDVEPDOVQC-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.31
Rot. Bonds2

About 4-chloro-2-propylpyridazin-3-one

4-chloro-2-propylpyridazin-3-one (PubChem CID 178099240) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 4-chloro-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-propylpyridazin-3-one
PubChem CID178099240
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name4-chloro-2-propylpyridazin-3-one
SMILESCCCn1nccc(Cl)c1=O
InChIInChI=1S/C7H9ClN2O/c1-2-5-10-7(11)6(8)3-4-9-10/h3-4H,2,5H2,1H3
InChIKeyGFXXWDVEPDOVQC-UHFFFAOYSA-N
XLogP1.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-2-propylpyridazin-3-one (CID 178099240) is 4-chloro-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-2-propylpyridazin-3-one is CCCn1nccc(Cl)c1=O.
What is the InChIKey of 4-chloro-2-propylpyridazin-3-one?
The InChIKey is GFXXWDVEPDOVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-2-5-10-7(11)6(8)3-4-9-10/h3-4H,2,5H2,1H3.
What are the key properties of 4-chloro-2-propylpyridazin-3-one?
4-chloro-2-propylpyridazin-3-one has a molecular weight of 172.62 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propylpyridazin-3-one is sourced from PubChem (CID 178099240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).