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

C15H20N6O2 — CID 52907322

IUPAC2-methyl-6-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCN(CCn3cccn3)CC2)ccc1=O
InChIInChI=1S/C15H20N6O2/c1-18-14(22)4-3-13(17-18)15(23)20-10-7-19(8-11-20)9-12-21-6-2-5-16-21/h2-6H,7-12H2,1H3
InChIKeyWOABWJKKJBIOIX-UHFFFAOYSA-N
MW316.37 g/mol
LogP-0.57
Rot. Bonds4

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

2-methyl-6-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyridazin-3-one (PubChem CID 52907322) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 2-methyl-6-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyridazin-3-one
PubChem CID52907322
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name2-methyl-6-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCN(CCn3cccn3)CC2)ccc1=O
InChIInChI=1S/C15H20N6O2/c1-18-14(22)4-3-13(17-18)15(23)20-10-7-19(8-11-20)9-12-21-6-2-5-16-21/h2-6H,7-12H2,1H3
InChIKeyWOABWJKKJBIOIX-UHFFFAOYSA-N
XLogP-0.57
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyridazin-3-one (CID 52907322) is 2-methyl-6-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyridazin-3-one is Cn1nc(C(=O)N2CCN(CCn3cccn3)CC2)ccc1=O.
What is the InChIKey of 2-methyl-6-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is WOABWJKKJBIOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-18-14(22)4-3-13(17-18)15(23)20-10-7-19(8-11-20)9-12-21-6-2-5-16-21/h2-6H,7-12H2,1H3.
What are the key properties of 2-methyl-6-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyridazin-3-one?
2-methyl-6-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 316.37 g/mol, XLogP of -0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 52907322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).