3-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

C17H20N6O3S — CID 59471647

IUPAC3-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(CCN)o3)n2)cc1
InChIInChI=1S/C17H20N6O3S/c1-10(2)27(24,25)12-5-3-11(4-6-12)13-9-20-16(19)15(21-13)17-23-22-14(26-17)7-8-18/h3-6,9-10H,7-8,18H2,1-2H3,(H2,19,20)
InChIKeyLPILIESGEMDYKO-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.46
Rot. Bonds6

About 3-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

3-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 59471647) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 3-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
PubChem CID59471647
Molecular FormulaC17H20N6O3S
Molecular Weight388.45 g/mol
Exact Mass388.13
IUPAC Name3-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(CCN)o3)n2)cc1
InChIInChI=1S/C17H20N6O3S/c1-10(2)27(24,25)12-5-3-11(4-6-12)13-9-20-16(19)15(21-13)17-23-22-14(26-17)7-8-18/h3-6,9-10H,7-8,18H2,1-2H3,(H2,19,20)
InChIKeyLPILIESGEMDYKO-UHFFFAOYSA-N
XLogP1.46
TPSA150.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 59471647) is 3-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(CCN)o3)n2)cc1.
What is the InChIKey of 3-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is LPILIESGEMDYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S/c1-10(2)27(24,25)12-5-3-11(4-6-12)13-9-20-16(19)15(21-13)17-23-22-14(26-17)7-8-18/h3-6,9-10H,7-8,18H2,1-2H3,(H2,19,20).
What are the key properties of 3-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
3-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 388.45 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 59471647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).