3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one

C17H18N8O2 — CID 90539579

IUPAC3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
SMILESO=C(Cn1cnccc1=O)N1CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C17H18N8O2/c26-16-3-4-18-13-25(16)11-17(27)23-9-7-22(8-10-23)14-1-2-15(21-20-14)24-6-5-19-12-24/h1-6,12-13H,7-11H2
InChIKeyQISXNUWZUMXHMS-UHFFFAOYSA-N
MW366.39 g/mol
LogP-0.43
Rot. Bonds4

About 3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one

3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (PubChem CID 90539579) has the molecular formula C17H18N8O2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
PubChem CID90539579
Molecular FormulaC17H18N8O2
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC Name3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
SMILESO=C(Cn1cnccc1=O)N1CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C17H18N8O2/c26-16-3-4-18-13-25(16)11-17(27)23-9-7-22(8-10-23)14-1-2-15(21-20-14)24-6-5-19-12-24/h1-6,12-13H,7-11H2
InChIKeyQISXNUWZUMXHMS-UHFFFAOYSA-N
XLogP-0.43
TPSA102.04 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one with MolForge

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Related Compounds

3-[2-oxo-2-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one
CID 121058657
3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121060197
3-[2-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121059791
2-pyrrol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122341661
2-pyrazol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122341657
(3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 90539451
(2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 90539357
2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 72719893
2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122338578
1-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 121146045
[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 90539491
6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one
CID 122334466

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (CID 90539579) is 3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is O=C(Cn1cnccc1=O)N1CCN(c2ccc(-n3ccnc3)nn2)CC1.
What is the InChIKey of 3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The InChIKey is QISXNUWZUMXHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O2/c26-16-3-4-18-13-25(16)11-17(27)23-9-7-22(8-10-23)14-1-2-15(21-20-14)24-6-5-19-12-24/h1-6,12-13H,7-11H2.
What are the key properties of 3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one has a molecular weight of 366.39 g/mol, XLogP of -0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 90539579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).