2-[(3-cyclopropylimidazol-4-yl)methyl]-5-iodopyridazin-3-one

C11H11IN4O — CID 114553468

IUPAC2-[(3-cyclopropylimidazol-4-yl)methyl]-5-iodopyridazin-3-one
SMILESO=c1cc(I)cnn1Cc1cncn1C1CC1
InChIInChI=1S/C11H11IN4O/c12-8-3-11(17)16(14-4-8)6-10-5-13-7-15(10)9-1-2-9/h3-5,7,9H,1-2,6H2
InChIKeyZGDPWDCRCDJQAW-UHFFFAOYSA-N
MW342.14 g/mol
LogP1.43
Rot. Bonds3

About 2-[(3-cyclopropylimidazol-4-yl)methyl]-5-iodopyridazin-3-one

2-[(3-cyclopropylimidazol-4-yl)methyl]-5-iodopyridazin-3-one (PubChem CID 114553468) has the molecular formula C11H11IN4O and a molecular weight of 342.14 g/mol. Its IUPAC name is 2-[(3-cyclopropylimidazol-4-yl)methyl]-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-[(3-cyclopropylimidazol-4-yl)methyl]-5-iodopyridazin-3-one
PubChem CID114553468
Molecular FormulaC11H11IN4O
Molecular Weight342.14 g/mol
Exact Mass342.00
IUPAC Name2-[(3-cyclopropylimidazol-4-yl)methyl]-5-iodopyridazin-3-one
SMILESO=c1cc(I)cnn1Cc1cncn1C1CC1
InChIInChI=1S/C11H11IN4O/c12-8-3-11(17)16(14-4-8)6-10-5-13-7-15(10)9-1-2-9/h3-5,7,9H,1-2,6H2
InChIKeyZGDPWDCRCDJQAW-UHFFFAOYSA-N
XLogP1.43
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropylimidazol-4-yl)methyl]-5-iodopyridazin-3-one?
The IUPAC name of 2-[(3-cyclopropylimidazol-4-yl)methyl]-5-iodopyridazin-3-one (CID 114553468) is 2-[(3-cyclopropylimidazol-4-yl)methyl]-5-iodopyridazin-3-one.
What is the SMILES notation for 2-[(3-cyclopropylimidazol-4-yl)methyl]-5-iodopyridazin-3-one?
The canonical SMILES for 2-[(3-cyclopropylimidazol-4-yl)methyl]-5-iodopyridazin-3-one is O=c1cc(I)cnn1Cc1cncn1C1CC1.
What is the InChIKey of 2-[(3-cyclopropylimidazol-4-yl)methyl]-5-iodopyridazin-3-one?
The InChIKey is ZGDPWDCRCDJQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4O/c12-8-3-11(17)16(14-4-8)6-10-5-13-7-15(10)9-1-2-9/h3-5,7,9H,1-2,6H2.
What are the key properties of 2-[(3-cyclopropylimidazol-4-yl)methyl]-5-iodopyridazin-3-one?
2-[(3-cyclopropylimidazol-4-yl)methyl]-5-iodopyridazin-3-one has a molecular weight of 342.14 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylimidazol-4-yl)methyl]-5-iodopyridazin-3-one is sourced from PubChem (CID 114553468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).