1-[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylsulfanylthiophen-2-yl]ethanone

C12H15N5OS2 — CID 103422722

IUPAC1-[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylsulfanylthiophen-2-yl]ethanone
SMILESCSc1c(N2CCn3cnnc3C2)sc(C(C)=O)c1N
InChIInChI=1S/C12H15N5OS2/c1-7(18)10-9(13)11(19-2)12(20-10)16-3-4-17-6-14-15-8(17)5-16/h6H,3-5,13H2,1-2H3
InChIKeySLXOMZJINHJZNV-UHFFFAOYSA-N
MW309.42 g/mol
LogP1.87
Rot. Bonds3

About 1-[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylsulfanylthiophen-2-yl]ethanone

1-[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylsulfanylthiophen-2-yl]ethanone (PubChem CID 103422722) has the molecular formula C12H15N5OS2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 1-[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylsulfanylthiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylsulfanylthiophen-2-yl]ethanone
PubChem CID103422722
Molecular FormulaC12H15N5OS2
Molecular Weight309.42 g/mol
Exact Mass309.07
IUPAC Name1-[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylsulfanylthiophen-2-yl]ethanone
SMILESCSc1c(N2CCn3cnnc3C2)sc(C(C)=O)c1N
InChIInChI=1S/C12H15N5OS2/c1-7(18)10-9(13)11(19-2)12(20-10)16-3-4-17-6-14-15-8(17)5-16/h6H,3-5,13H2,1-2H3
InChIKeySLXOMZJINHJZNV-UHFFFAOYSA-N
XLogP1.87
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylsulfanylthiophen-2-yl]ethanone with MolForge

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Related Compounds

1-[3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanylthiophen-2-yl]ethanone
CID 103419298
1-[3-amino-4-methylsulfanyl-5-(1,4-thiazepan-4-yl)thiophen-2-yl]ethanone
CID 103418048
1-[3-amino-5-(3-ethylpiperidin-1-yl)-4-methylsulfanylthiophen-2-yl]ethanone
CID 103509067
1-[3-amino-5-(7,7-dimethyl-1,4-thiazepan-4-yl)-4-methylsulfanylthiophen-2-yl]ethanone
CID 107460391
2-amino-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)benzoic acid
CID 104500698
[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103422726
3-amino-5-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103509324
4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbenzamide
CID 64575387
2-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)benzoic acid
CID 64576637
3-amino-4-methylsulfanyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide
CID 103507264
3-amino-N-ethyl-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103418732
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-phenyl-1,2-thiazol-3-amine
CID 103382110

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylsulfanylthiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylsulfanylthiophen-2-yl]ethanone (CID 103422722) is 1-[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylsulfanylthiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylsulfanylthiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylsulfanylthiophen-2-yl]ethanone is CSc1c(N2CCn3cnnc3C2)sc(C(C)=O)c1N.
What is the InChIKey of 1-[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylsulfanylthiophen-2-yl]ethanone?
The InChIKey is SLXOMZJINHJZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS2/c1-7(18)10-9(13)11(19-2)12(20-10)16-3-4-17-6-14-15-8(17)5-16/h6H,3-5,13H2,1-2H3.
What are the key properties of 1-[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylsulfanylthiophen-2-yl]ethanone?
1-[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylsulfanylthiophen-2-yl]ethanone has a molecular weight of 309.42 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylsulfanylthiophen-2-yl]ethanone is sourced from PubChem (CID 103422722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).