3-methyl-5-(1-prop-2-enylimidazol-2-yl)-1H-pyridazin-6-one

C11H12N4O — CID 102485327

IUPAC3-methyl-5-(1-prop-2-enylimidazol-2-yl)-1H-pyridazin-6-one
SMILESC=CCn1ccnc1-c1cc(C)n[nH]c1=O
InChIInChI=1S/C11H12N4O/c1-3-5-15-6-4-12-10(15)9-7-8(2)13-14-11(9)16/h3-4,6-7H,1,5H2,2H3,(H,14,16)
InChIKeyIGYXDRVFFWWECO-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.13
Rot. Bonds3

About 3-methyl-5-(1-prop-2-enylimidazol-2-yl)-1H-pyridazin-6-one

3-methyl-5-(1-prop-2-enylimidazol-2-yl)-1H-pyridazin-6-one (PubChem CID 102485327) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-methyl-5-(1-prop-2-enylimidazol-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-methyl-5-(1-prop-2-enylimidazol-2-yl)-1H-pyridazin-6-one
PubChem CID102485327
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-methyl-5-(1-prop-2-enylimidazol-2-yl)-1H-pyridazin-6-one
SMILESC=CCn1ccnc1-c1cc(C)n[nH]c1=O
InChIInChI=1S/C11H12N4O/c1-3-5-15-6-4-12-10(15)9-7-8(2)13-14-11(9)16/h3-4,6-7H,1,5H2,2H3,(H,14,16)
InChIKeyIGYXDRVFFWWECO-UHFFFAOYSA-N
XLogP1.13
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-prop-2-enylimidazol-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-methyl-5-(1-prop-2-enylimidazol-2-yl)-1H-pyridazin-6-one (CID 102485327) is 3-methyl-5-(1-prop-2-enylimidazol-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-methyl-5-(1-prop-2-enylimidazol-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-methyl-5-(1-prop-2-enylimidazol-2-yl)-1H-pyridazin-6-one is C=CCn1ccnc1-c1cc(C)n[nH]c1=O.
What is the InChIKey of 3-methyl-5-(1-prop-2-enylimidazol-2-yl)-1H-pyridazin-6-one?
The InChIKey is IGYXDRVFFWWECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-3-5-15-6-4-12-10(15)9-7-8(2)13-14-11(9)16/h3-4,6-7H,1,5H2,2H3,(H,14,16).
What are the key properties of 3-methyl-5-(1-prop-2-enylimidazol-2-yl)-1H-pyridazin-6-one?
3-methyl-5-(1-prop-2-enylimidazol-2-yl)-1H-pyridazin-6-one has a molecular weight of 216.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-prop-2-enylimidazol-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 102485327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).