3-methyl-1H-pyridazin-6-one;3-propyl-1H-pyridazin-6-one

C12H16N4O2 — CID 67695300

IUPAC3-methyl-1H-pyridazin-6-one;3-propyl-1H-pyridazin-6-one
SMILESCCCc1ccc(=O)[nH]n1.Cc1ccc(=O)[nH]n1
InChIInChI=1S/C7H10N2O.C5H6N2O/c1-2-3-6-4-5-7(10)9-8-6;1-4-2-3-5(8)7-6-4/h4-5H,2-3H2,1H3,(H,9,10);2-3H,1H3,(H,7,8)
InChIKeyWAGZJBPPNRKFCH-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.80
Rot. Bonds2

About 3-methyl-1H-pyridazin-6-one;3-propyl-1H-pyridazin-6-one

3-methyl-1H-pyridazin-6-one;3-propyl-1H-pyridazin-6-one (PubChem CID 67695300) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-methyl-1H-pyridazin-6-one;3-propyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-methyl-1H-pyridazin-6-one;3-propyl-1H-pyridazin-6-one
PubChem CID67695300
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-methyl-1H-pyridazin-6-one;3-propyl-1H-pyridazin-6-one
SMILESCCCc1ccc(=O)[nH]n1.Cc1ccc(=O)[nH]n1
InChIInChI=1S/C7H10N2O.C5H6N2O/c1-2-3-6-4-5-7(10)9-8-6;1-4-2-3-5(8)7-6-4/h4-5H,2-3H2,1H3,(H,9,10);2-3H,1H3,(H,7,8)
InChIKeyWAGZJBPPNRKFCH-UHFFFAOYSA-N
XLogP0.80
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-pyridazin-6-one;3-propyl-1H-pyridazin-6-one?
The IUPAC name of 3-methyl-1H-pyridazin-6-one;3-propyl-1H-pyridazin-6-one (CID 67695300) is 3-methyl-1H-pyridazin-6-one;3-propyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-methyl-1H-pyridazin-6-one;3-propyl-1H-pyridazin-6-one?
The canonical SMILES for 3-methyl-1H-pyridazin-6-one;3-propyl-1H-pyridazin-6-one is CCCc1ccc(=O)[nH]n1.Cc1ccc(=O)[nH]n1.
What is the InChIKey of 3-methyl-1H-pyridazin-6-one;3-propyl-1H-pyridazin-6-one?
The InChIKey is WAGZJBPPNRKFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.C5H6N2O/c1-2-3-6-4-5-7(10)9-8-6;1-4-2-3-5(8)7-6-4/h4-5H,2-3H2,1H3,(H,9,10);2-3H,1H3,(H,7,8).
What are the key properties of 3-methyl-1H-pyridazin-6-one;3-propyl-1H-pyridazin-6-one?
3-methyl-1H-pyridazin-6-one;3-propyl-1H-pyridazin-6-one has a molecular weight of 248.29 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-pyridazin-6-one;3-propyl-1H-pyridazin-6-one is sourced from PubChem (CID 67695300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).