2-methyl-6-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyridazin-3-one

C17H18N8O2 — CID 122338958

IUPAC2-methyl-6-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)ccc1=O
InChIInChI=1S/C17H18N8O2/c1-22-16(26)6-3-13(21-22)17(27)24-11-9-23(10-12-24)14-4-5-15(20-19-14)25-8-2-7-18-25/h2-8H,9-12H2,1H3
InChIKeyAPEFOIVBEAKMGL-UHFFFAOYSA-N
MW366.39 g/mol
LogP-0.28
Rot. Bonds3

About 2-methyl-6-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyridazin-3-one

2-methyl-6-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyridazin-3-one (PubChem CID 122338958) has the molecular formula C17H18N8O2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-methyl-6-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyridazin-3-one
PubChem CID122338958
Molecular FormulaC17H18N8O2
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC Name2-methyl-6-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)ccc1=O
InChIInChI=1S/C17H18N8O2/c1-22-16(26)6-3-13(21-22)17(27)24-11-9-23(10-12-24)14-4-5-15(20-19-14)25-8-2-7-18-25/h2-8H,9-12H2,1H3
InChIKeyAPEFOIVBEAKMGL-UHFFFAOYSA-N
XLogP-0.28
TPSA102.04 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 122334034
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122339011
6-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 122338462
6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 43391811
6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 80707142
2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 47162984
3-phenyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
CID 71962170
N-methyl-N-[2-oxo-2-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide
CID 122339018
6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 122332267
1-[4-[1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 90514137
6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 121184558
6-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 90516980

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyridazin-3-one (CID 122338958) is 2-methyl-6-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyridazin-3-one is Cn1nc(C(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)ccc1=O.
What is the InChIKey of 2-methyl-6-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is APEFOIVBEAKMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O2/c1-22-16(26)6-3-13(21-22)17(27)24-11-9-23(10-12-24)14-4-5-15(20-19-14)25-8-2-7-18-25/h2-8H,9-12H2,1H3.
What are the key properties of 2-methyl-6-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyridazin-3-one?
2-methyl-6-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 366.39 g/mol, XLogP of -0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 122338958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).