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

C10H14N6O2S — CID 97415886

IUPAC7-methylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCS(=O)(=O)N1CCn2cc(Cn3cncn3)nc2C1
InChIInChI=1S/C10H14N6O2S/c1-19(17,18)16-3-2-14-4-9(13-10(14)6-16)5-15-8-11-7-12-15/h4,7-8H,2-3,5-6H2,1H3
InChIKeyHDWFQPDUAJHUIV-UHFFFAOYSA-N
MW282.33 g/mol
LogP-0.70
Rot. Bonds3

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

7-methylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97415886) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 7-methylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-methylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97415886
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name7-methylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCS(=O)(=O)N1CCn2cc(Cn3cncn3)nc2C1
InChIInChI=1S/C10H14N6O2S/c1-19(17,18)16-3-2-14-4-9(13-10(14)6-16)5-15-8-11-7-12-15/h4,7-8H,2-3,5-6H2,1H3
InChIKeyHDWFQPDUAJHUIV-UHFFFAOYSA-N
XLogP-0.70
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-methylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97415886) is 7-methylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-methylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-methylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CS(=O)(=O)N1CCn2cc(Cn3cncn3)nc2C1.
What is the InChIKey of 7-methylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is HDWFQPDUAJHUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c1-19(17,18)16-3-2-14-4-9(13-10(14)6-16)5-15-8-11-7-12-15/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 7-methylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-methylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 282.33 g/mol, XLogP of -0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97415886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).