7-propan-2-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C8H14N4O2S — CID 63933267

IUPAC7-propan-2-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)S(=O)(=O)N1CCn2cnnc2C1
InChIInChI=1S/C8H14N4O2S/c1-7(2)15(13,14)12-4-3-11-6-9-10-8(11)5-12/h6-7H,3-5H2,1-2H3
InChIKeyGYYHVHYYDDVKNR-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.17
Rot. Bonds2

About 7-propan-2-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-propan-2-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 63933267) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 7-propan-2-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-propan-2-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID63933267
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name7-propan-2-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)S(=O)(=O)N1CCn2cnnc2C1
InChIInChI=1S/C8H14N4O2S/c1-7(2)15(13,14)12-4-3-11-6-9-10-8(11)5-12/h6-7H,3-5H2,1-2H3
InChIKeyGYYHVHYYDDVKNR-UHFFFAOYSA-N
XLogP-0.17
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-propan-2-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 63933267) is 7-propan-2-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-propan-2-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-propan-2-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)S(=O)(=O)N1CCn2cnnc2C1.
What is the InChIKey of 7-propan-2-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is GYYHVHYYDDVKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-7(2)15(13,14)12-4-3-11-6-9-10-8(11)5-12/h6-7H,3-5H2,1-2H3.
What are the key properties of 7-propan-2-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-propan-2-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 230.29 g/mol, XLogP of -0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 63933267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).