5-methoxy-2-propylpyridazin-3-one

C8H12N2O2 — CID 125425750

IUPAC5-methoxy-2-propylpyridazin-3-one
SMILESCCCn1ncc(OC)cc1=O
InChIInChI=1S/C8H12N2O2/c1-3-4-10-8(11)5-7(12-2)6-9-10/h5-6H,3-4H2,1-2H3
InChIKeyMCAPPOILUUWQEU-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.66
Rot. Bonds3

About 5-methoxy-2-propylpyridazin-3-one

5-methoxy-2-propylpyridazin-3-one (PubChem CID 125425750) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-methoxy-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-methoxy-2-propylpyridazin-3-one
PubChem CID125425750
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-methoxy-2-propylpyridazin-3-one
SMILESCCCn1ncc(OC)cc1=O
InChIInChI=1S/C8H12N2O2/c1-3-4-10-8(11)5-7(12-2)6-9-10/h5-6H,3-4H2,1-2H3
InChIKeyMCAPPOILUUWQEU-UHFFFAOYSA-N
XLogP0.66
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-propylpyridazin-3-one?
The IUPAC name of 5-methoxy-2-propylpyridazin-3-one (CID 125425750) is 5-methoxy-2-propylpyridazin-3-one.
What is the SMILES notation for 5-methoxy-2-propylpyridazin-3-one?
The canonical SMILES for 5-methoxy-2-propylpyridazin-3-one is CCCn1ncc(OC)cc1=O.
What is the InChIKey of 5-methoxy-2-propylpyridazin-3-one?
The InChIKey is MCAPPOILUUWQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-4-10-8(11)5-7(12-2)6-9-10/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-methoxy-2-propylpyridazin-3-one?
5-methoxy-2-propylpyridazin-3-one has a molecular weight of 168.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-propylpyridazin-3-one is sourced from PubChem (CID 125425750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).