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

C10H14N6O2S — CID 64577576

IUPAC7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1ncc(S(=O)(=O)N2CCn3cnnc3C2)[nH]1
InChIInChI=1S/C10H14N6O2S/c1-2-8-11-5-10(13-8)19(17,18)16-4-3-15-7-12-14-9(15)6-16/h5,7H,2-4,6H2,1H3,(H,11,13)
InChIKeyIEHVVOTUCGNJII-UHFFFAOYSA-N
MW282.33 g/mol
LogP-0.23
Rot. Bonds3

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

7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 64577576) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID64577576
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1ncc(S(=O)(=O)N2CCn3cnnc3C2)[nH]1
InChIInChI=1S/C10H14N6O2S/c1-2-8-11-5-10(13-8)19(17,18)16-4-3-15-7-12-14-9(15)6-16/h5,7H,2-4,6H2,1H3,(H,11,13)
InChIKeyIEHVVOTUCGNJII-UHFFFAOYSA-N
XLogP-0.23
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 64577576) is 7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCc1ncc(S(=O)(=O)N2CCn3cnnc3C2)[nH]1.
What is the InChIKey of 7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is IEHVVOTUCGNJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c1-2-8-11-5-10(13-8)19(17,18)16-4-3-15-7-12-14-9(15)6-16/h5,7H,2-4,6H2,1H3,(H,11,13).
What are the key properties of 7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 282.33 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 64577576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).