ethane;2-propan-2-yl-5H-imidazo[1,2-b]pyridazin-6-one

C15H29N3O — CID 172614838

IUPACethane;2-propan-2-yl-5H-imidazo[1,2-b]pyridazin-6-one
SMILESCC.CC.CC.CC(C)c1cn2[nH]c(=O)ccc2n1
InChIInChI=1S/C9H11N3O.3C2H6/c1-6(2)7-5-12-8(10-7)3-4-9(13)11-12;3*1-2/h3-6H,1-2H3,(H,11,13);3*1-2H3
InChIKeyJTXCJUMJERWVKI-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.22
Rot. Bonds1

About ethane;2-propan-2-yl-5H-imidazo[1,2-b]pyridazin-6-one

ethane;2-propan-2-yl-5H-imidazo[1,2-b]pyridazin-6-one (PubChem CID 172614838) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is ethane;2-propan-2-yl-5H-imidazo[1,2-b]pyridazin-6-one.

Molecular Properties

Compound Nameethane;2-propan-2-yl-5H-imidazo[1,2-b]pyridazin-6-one
PubChem CID172614838
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Nameethane;2-propan-2-yl-5H-imidazo[1,2-b]pyridazin-6-one
SMILESCC.CC.CC.CC(C)c1cn2[nH]c(=O)ccc2n1
InChIInChI=1S/C9H11N3O.3C2H6/c1-6(2)7-5-12-8(10-7)3-4-9(13)11-12;3*1-2/h3-6H,1-2H3,(H,11,13);3*1-2H3
InChIKeyJTXCJUMJERWVKI-UHFFFAOYSA-N
XLogP4.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-5H-imidazo[1,2-b]pyridazin-6-one?
The IUPAC name of ethane;2-propan-2-yl-5H-imidazo[1,2-b]pyridazin-6-one (CID 172614838) is ethane;2-propan-2-yl-5H-imidazo[1,2-b]pyridazin-6-one.
What is the SMILES notation for ethane;2-propan-2-yl-5H-imidazo[1,2-b]pyridazin-6-one?
The canonical SMILES for ethane;2-propan-2-yl-5H-imidazo[1,2-b]pyridazin-6-one is CC.CC.CC.CC(C)c1cn2[nH]c(=O)ccc2n1.
What is the InChIKey of ethane;2-propan-2-yl-5H-imidazo[1,2-b]pyridazin-6-one?
The InChIKey is JTXCJUMJERWVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O.3C2H6/c1-6(2)7-5-12-8(10-7)3-4-9(13)11-12;3*1-2/h3-6H,1-2H3,(H,11,13);3*1-2H3.
What are the key properties of ethane;2-propan-2-yl-5H-imidazo[1,2-b]pyridazin-6-one?
ethane;2-propan-2-yl-5H-imidazo[1,2-b]pyridazin-6-one has a molecular weight of 267.42 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-5H-imidazo[1,2-b]pyridazin-6-one is sourced from PubChem (CID 172614838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).