ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one

C17H27N5O2 — CID 171811240

IUPACethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one
SMILESCC.CC.Cc1ccc2nc(C(=O)N3CCN(C)C(=O)C3)cn2n1
InChIInChI=1S/C13H15N5O2.2C2H6/c1-9-3-4-11-14-10(7-18(11)15-9)13(20)17-6-5-16(2)12(19)8-17;2*1-2/h3-4,7H,5-6,8H2,1-2H3;2*1-2H3
InChIKeyIIYTWJCEFJUMMS-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.00
Rot. Bonds1

About ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one

ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one (PubChem CID 171811240) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Nameethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one
PubChem CID171811240
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Nameethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one
SMILESCC.CC.Cc1ccc2nc(C(=O)N3CCN(C)C(=O)C3)cn2n1
InChIInChI=1S/C13H15N5O2.2C2H6/c1-9-3-4-11-14-10(7-18(11)15-9)13(20)17-6-5-16(2)12(19)8-17;2*1-2/h3-4,7H,5-6,8H2,1-2H3;2*1-2H3
InChIKeyIIYTWJCEFJUMMS-UHFFFAOYSA-N
XLogP2.00
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one?
The IUPAC name of ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one (CID 171811240) is ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one.
What is the SMILES notation for ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one?
The canonical SMILES for ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one is CC.CC.Cc1ccc2nc(C(=O)N3CCN(C)C(=O)C3)cn2n1.
What is the InChIKey of ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one?
The InChIKey is IIYTWJCEFJUMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2.2C2H6/c1-9-3-4-11-14-10(7-18(11)15-9)13(20)17-6-5-16(2)12(19)8-17;2*1-2/h3-4,7H,5-6,8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one?
ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one has a molecular weight of 333.44 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 171811240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).