6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one

C16H17N7O — CID 126926440

IUPAC6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
SMILESO=c1ccc(-n2ccnc2)nn1CC1CCCN1c1cnccn1
InChIInChI=1S/C16H17N7O/c24-16-4-3-14(21-9-7-18-12-21)20-23(16)11-13-2-1-8-22(13)15-10-17-5-6-19-15/h3-7,9-10,12-13H,1-2,8,11H2
InChIKeyFWTYYGVFPJCVBI-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.89
Rot. Bonds4

About 6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one

6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one (PubChem CID 126926440) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
PubChem CID126926440
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
SMILESO=c1ccc(-n2ccnc2)nn1CC1CCCN1c1cnccn1
InChIInChI=1S/C16H17N7O/c24-16-4-3-14(21-9-7-18-12-21)20-23(16)11-13-2-1-8-22(13)15-10-17-5-6-19-15/h3-7,9-10,12-13H,1-2,8,11H2
InChIKeyFWTYYGVFPJCVBI-UHFFFAOYSA-N
XLogP0.89
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one (CID 126926440) is 6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one is O=c1ccc(-n2ccnc2)nn1CC1CCCN1c1cnccn1.
What is the InChIKey of 6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The InChIKey is FWTYYGVFPJCVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c24-16-4-3-14(21-9-7-18-12-21)20-23(16)11-13-2-1-8-22(13)15-10-17-5-6-19-15/h3-7,9-10,12-13H,1-2,8,11H2.
What are the key properties of 6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one?
6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one has a molecular weight of 323.36 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 126926440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).