1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine

C11H19N5OS — CID 113494979

IUPAC1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CCS(=O)CC)c21
InChIInChI=1S/C11H19N5OS/c1-4-16-10-9(8(3)14-16)13-11(12)15(10)6-7-18(17)5-2/h4-7H2,1-3H3,(H2,12,13)
InChIKeyMFSNJWIQTWEBCD-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.91
Rot. Bonds5

About 1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine

1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 113494979) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID113494979
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CCS(=O)CC)c21
InChIInChI=1S/C11H19N5OS/c1-4-16-10-9(8(3)14-16)13-11(12)15(10)6-7-18(17)5-2/h4-7H2,1-3H3,(H2,12,13)
InChIKeyMFSNJWIQTWEBCD-UHFFFAOYSA-N
XLogP0.91
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine (CID 113494979) is 1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(CCS(=O)CC)c21.
What is the InChIKey of 1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is MFSNJWIQTWEBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-4-16-10-9(8(3)14-16)13-11(12)15(10)6-7-18(17)5-2/h4-7H2,1-3H3,(H2,12,13).
What are the key properties of 1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine?
1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 269.37 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 113494979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).