2-ethyl-N-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-6-amine

C15H23N5O2S — CID 123555448

IUPAC2-ethyl-N-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCCc1cn2nc(N(C)CC3CCN(S(C)(=O)=O)C3)ccc2n1
InChIInChI=1S/C15H23N5O2S/c1-4-13-11-20-14(16-13)5-6-15(17-20)18(2)9-12-7-8-19(10-12)23(3,21)22/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyJLWMHPQLMYJOGH-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.01
Rot. Bonds5

About 2-ethyl-N-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-6-amine

2-ethyl-N-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 123555448) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID123555448
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Name2-ethyl-N-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCCc1cn2nc(N(C)CC3CCN(S(C)(=O)=O)C3)ccc2n1
InChIInChI=1S/C15H23N5O2S/c1-4-13-11-20-14(16-13)5-6-15(17-20)18(2)9-12-7-8-19(10-12)23(3,21)22/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyJLWMHPQLMYJOGH-UHFFFAOYSA-N
XLogP1.01
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 2-ethyl-N-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-6-amine (CID 123555448) is 2-ethyl-N-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 2-ethyl-N-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 2-ethyl-N-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-6-amine is CCc1cn2nc(N(C)CC3CCN(S(C)(=O)=O)C3)ccc2n1.
What is the InChIKey of 2-ethyl-N-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is JLWMHPQLMYJOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-4-13-11-20-14(16-13)5-6-15(17-20)18(2)9-12-7-8-19(10-12)23(3,21)22/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 2-ethyl-N-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-6-amine?
2-ethyl-N-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 337.45 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 123555448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).