3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen

C16H24N6O3S — CID 157338818

IUPAC3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(CN)o3)n2)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C16H18N6O3S.3H2/c1-9(2)26(23,24)11-5-3-10(4-6-11)12-8-19-15(18)14(20-12)16-22-21-13(7-17)25-16;;;/h3-6,8-9H,7,17H2,1-2H3,(H2,18,19);3*1H
InChIKeyBGDRZSIUIINBSK-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.15
Rot. Bonds5

About 3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen

3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen (PubChem CID 157338818) has the molecular formula C16H24N6O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen.

Molecular Properties

Compound Name3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen
PubChem CID157338818
Molecular FormulaC16H24N6O3S
Molecular Weight380.47 g/mol
Exact Mass380.16
IUPAC Name3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(CN)o3)n2)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C16H18N6O3S.3H2/c1-9(2)26(23,24)11-5-3-10(4-6-11)12-8-19-15(18)14(20-12)16-22-21-13(7-17)25-16;;;/h3-6,8-9H,7,17H2,1-2H3,(H2,18,19);3*1H
InChIKeyBGDRZSIUIINBSK-UHFFFAOYSA-N
XLogP2.15
TPSA150.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine;molecular hydrogen
CID 160543901
2-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine;molecular hydrogen
CID 159051269
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 59472018
N'-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]propane-1,3-diamine
CID 59472267
5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen
CID 159152834
[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen
CID 161228678
[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-(3-aminopyrrolidin-1-yl)methanone;molecular hydrogen
CID 157200636
3-[3-[4-(aminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 59472343
5-(4-tert-butylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;molecular hydrogen
CID 161492468
(2S)-2-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol
CID 59472300
5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen
CID 160686209
3-[5-[2-fluoro-4-[[(3-methyloxiran-2-yl)amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 141472952

Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen?
The IUPAC name of 3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen (CID 157338818) is 3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen.
What is the SMILES notation for 3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen?
The canonical SMILES for 3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(CN)o3)n2)cc1.[H][H].[H][H].[H][H].
What is the InChIKey of 3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen?
The InChIKey is BGDRZSIUIINBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3S.3H2/c1-9(2)26(23,24)11-5-3-10(4-6-11)12-8-19-15(18)14(20-12)16-22-21-13(7-17)25-16;;;/h3-6,8-9H,7,17H2,1-2H3,(H2,18,19);3*1H.
What are the key properties of 3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen?
3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen has a molecular weight of 380.47 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen is sourced from PubChem (CID 157338818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).