7-ethylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C11H16N6O2S — CID 97411639

IUPAC7-ethylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCCS(=O)(=O)N1CCn2cc(Cn3cncn3)nc2C1
InChIInChI=1S/C11H16N6O2S/c1-2-20(18,19)17-4-3-15-5-10(14-11(15)7-17)6-16-9-12-8-13-16/h5,8-9H,2-4,6-7H2,1H3
InChIKeyUNFYKRRVHWIDSJ-UHFFFAOYSA-N
MW296.36 g/mol
LogP-0.31
Rot. Bonds4

About 7-ethylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-ethylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97411639) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is 7-ethylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-ethylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97411639
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC Name7-ethylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCCS(=O)(=O)N1CCn2cc(Cn3cncn3)nc2C1
InChIInChI=1S/C11H16N6O2S/c1-2-20(18,19)17-4-3-15-5-10(14-11(15)7-17)6-16-9-12-8-13-16/h5,8-9H,2-4,6-7H2,1H3
InChIKeyUNFYKRRVHWIDSJ-UHFFFAOYSA-N
XLogP-0.31
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-ethylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97411639) is 7-ethylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-ethylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-ethylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CCS(=O)(=O)N1CCn2cc(Cn3cncn3)nc2C1.
What is the InChIKey of 7-ethylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is UNFYKRRVHWIDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c1-2-20(18,19)17-4-3-15-5-10(14-11(15)7-17)6-16-9-12-8-13-16/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of 7-ethylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-ethylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 296.36 g/mol, XLogP of -0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97411639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).