2-methyl-6-propoxypyridazin-3-one

C8H12N2O2 — CID 5243598

IUPAC2-methyl-6-propoxypyridazin-3-one
SMILESCCCOc1ccc(=O)n(C)n1
InChIInChI=1S/C8H12N2O2/c1-3-6-12-7-4-5-8(11)10(2)9-7/h4-5H,3,6H2,1-2H3
InChIKeyQFROKPGQRBJJFO-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.57
Rot. Bonds3

About 2-methyl-6-propoxypyridazin-3-one

2-methyl-6-propoxypyridazin-3-one (PubChem CID 5243598) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-methyl-6-propoxypyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-propoxypyridazin-3-one
PubChem CID5243598
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-methyl-6-propoxypyridazin-3-one
SMILESCCCOc1ccc(=O)n(C)n1
InChIInChI=1S/C8H12N2O2/c1-3-6-12-7-4-5-8(11)10(2)9-7/h4-5H,3,6H2,1-2H3
InChIKeyQFROKPGQRBJJFO-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propoxypyridazin-3-one?
The IUPAC name of 2-methyl-6-propoxypyridazin-3-one (CID 5243598) is 2-methyl-6-propoxypyridazin-3-one.
What is the SMILES notation for 2-methyl-6-propoxypyridazin-3-one?
The canonical SMILES for 2-methyl-6-propoxypyridazin-3-one is CCCOc1ccc(=O)n(C)n1.
What is the InChIKey of 2-methyl-6-propoxypyridazin-3-one?
The InChIKey is QFROKPGQRBJJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-6-12-7-4-5-8(11)10(2)9-7/h4-5H,3,6H2,1-2H3.
What are the key properties of 2-methyl-6-propoxypyridazin-3-one?
2-methyl-6-propoxypyridazin-3-one has a molecular weight of 168.20 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propoxypyridazin-3-one is sourced from PubChem (CID 5243598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).