1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)phenyl]ethanol

C13H16N4O3S — CID 64576058

IUPAC1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)phenyl]ethanol
SMILESCC(O)c1cccc(S(=O)(=O)N2CCn3cnnc3C2)c1
InChIInChI=1S/C13H16N4O3S/c1-10(18)11-3-2-4-12(7-11)21(19,20)17-6-5-16-9-14-15-13(16)8-17/h2-4,7,9-10,18H,5-6,8H2,1H3
InChIKeyLSPDPNPWJKWLNI-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.54
Rot. Bonds3

About 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)phenyl]ethanol

1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)phenyl]ethanol (PubChem CID 64576058) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)phenyl]ethanol
PubChem CID64576058
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)phenyl]ethanol
SMILESCC(O)c1cccc(S(=O)(=O)N2CCn3cnnc3C2)c1
InChIInChI=1S/C13H16N4O3S/c1-10(18)11-3-2-4-12(7-11)21(19,20)17-6-5-16-9-14-15-13(16)8-17/h2-4,7,9-10,18H,5-6,8H2,1H3
InChIKeyLSPDPNPWJKWLNI-UHFFFAOYSA-N
XLogP0.54
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)phenyl]ethanol with MolForge

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Related Compounds

4-[3-(1-hydroxyethyl)phenyl]sulfonyl-1-methylpiperazin-2-one
CID 64693296
7-(4-bromophenyl)sulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 63934102
1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol
CID 106672758
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-N-methylpyridin-2-amine
CID 64575679
1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol
CID 104959833
(1R)-1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol
CID 64577245
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol
CID 54882754
2-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)phenyl]acetonitrile
CID 79203685
1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol
CID 62124169
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-N-methylpyridin-2-amine
CID 64575485
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-4-methoxyaniline
CID 64575566
7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64577576

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)phenyl]ethanol?
The IUPAC name of 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)phenyl]ethanol (CID 64576058) is 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)phenyl]ethanol.
What is the SMILES notation for 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)phenyl]ethanol?
The canonical SMILES for 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)phenyl]ethanol is CC(O)c1cccc(S(=O)(=O)N2CCn3cnnc3C2)c1.
What is the InChIKey of 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)phenyl]ethanol?
The InChIKey is LSPDPNPWJKWLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-10(18)11-3-2-4-12(7-11)21(19,20)17-6-5-16-9-14-15-13(16)8-17/h2-4,7,9-10,18H,5-6,8H2,1H3.
What are the key properties of 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)phenyl]ethanol?
1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)phenyl]ethanol has a molecular weight of 308.36 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)phenyl]ethanol is sourced from PubChem (CID 64576058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).