2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one

C17H24N6O — CID 126913460

IUPAC2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCN1CCN(Cc2nccn2C2CC2)CC1
InChIInChI=1S/C17H24N6O/c24-17-2-1-5-19-23(17)13-12-20-8-10-21(11-9-20)14-16-18-6-7-22(16)15-3-4-15/h1-2,5-7,15H,3-4,8-14H2
InChIKeyIGVXWUYCIDFBLU-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.59
Rot. Bonds6

About 2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one

2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913460) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913460
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCN1CCN(Cc2nccn2C2CC2)CC1
InChIInChI=1S/C17H24N6O/c24-17-2-1-5-19-23(17)13-12-20-8-10-21(11-9-20)14-16-18-6-7-22(16)15-3-4-15/h1-2,5-7,15H,3-4,8-14H2
InChIKeyIGVXWUYCIDFBLU-UHFFFAOYSA-N
XLogP0.59
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913460) is 2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one is O=c1cccnn1CCN1CCN(Cc2nccn2C2CC2)CC1.
What is the InChIKey of 2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is IGVXWUYCIDFBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c24-17-2-1-5-19-23(17)13-12-20-8-10-21(11-9-20)14-16-18-6-7-22(16)15-3-4-15/h1-2,5-7,15H,3-4,8-14H2.
What are the key properties of 2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 328.42 g/mol, XLogP of 0.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).