7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C9H12N6O2S — CID 63933684

IUPAC7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCn2cnnc2C1
InChIInChI=1S/C9H12N6O2S/c1-7-8(4-10-12-7)18(16,17)15-3-2-14-6-11-13-9(14)5-15/h4,6H,2-3,5H2,1H3,(H,10,12)
InChIKeyTYIWYXRIKULUNQ-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.49
Rot. Bonds2

About 7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 63933684) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID63933684
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCn2cnnc2C1
InChIInChI=1S/C9H12N6O2S/c1-7-8(4-10-12-7)18(16,17)15-3-2-14-6-11-13-9(14)5-15/h4,6H,2-3,5H2,1H3,(H,10,12)
InChIKeyTYIWYXRIKULUNQ-UHFFFAOYSA-N
XLogP-0.49
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 63933684) is 7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Cc1[nH]ncc1S(=O)(=O)N1CCn2cnnc2C1.
What is the InChIKey of 7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is TYIWYXRIKULUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-7-8(4-10-12-7)18(16,17)15-3-2-14-6-11-13-9(14)5-15/h4,6H,2-3,5H2,1H3,(H,10,12).
What are the key properties of 7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 268.30 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 63933684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).