6-methyl-2-methylsulfonylimidazo[2,1-f][1,2,4]triazine

C7H8N4O2S — CID 96613245

IUPAC6-methyl-2-methylsulfonylimidazo[2,1-f][1,2,4]triazine
SMILESCc1cn2nc(S(C)(=O)=O)ncc2n1
InChIInChI=1S/C7H8N4O2S/c1-5-4-11-6(9-5)3-8-7(10-11)14(2,12)13/h3-4H,1-2H3
InChIKeyPJXCJOONIUKFHE-UHFFFAOYSA-N
MW212.23 g/mol
LogP-0.16
Rot. Bonds1

About 6-methyl-2-methylsulfonylimidazo[2,1-f][1,2,4]triazine

6-methyl-2-methylsulfonylimidazo[2,1-f][1,2,4]triazine (PubChem CID 96613245) has the molecular formula C7H8N4O2S and a molecular weight of 212.23 g/mol. Its IUPAC name is 6-methyl-2-methylsulfonylimidazo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name6-methyl-2-methylsulfonylimidazo[2,1-f][1,2,4]triazine
PubChem CID96613245
Molecular FormulaC7H8N4O2S
Molecular Weight212.23 g/mol
Exact Mass212.04
IUPAC Name6-methyl-2-methylsulfonylimidazo[2,1-f][1,2,4]triazine
SMILESCc1cn2nc(S(C)(=O)=O)ncc2n1
InChIInChI=1S/C7H8N4O2S/c1-5-4-11-6(9-5)3-8-7(10-11)14(2,12)13/h3-4H,1-2H3
InChIKeyPJXCJOONIUKFHE-UHFFFAOYSA-N
XLogP-0.16
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfonylimidazo[2,1-f][1,2,4]triazine?
The IUPAC name of 6-methyl-2-methylsulfonylimidazo[2,1-f][1,2,4]triazine (CID 96613245) is 6-methyl-2-methylsulfonylimidazo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 6-methyl-2-methylsulfonylimidazo[2,1-f][1,2,4]triazine?
The canonical SMILES for 6-methyl-2-methylsulfonylimidazo[2,1-f][1,2,4]triazine is Cc1cn2nc(S(C)(=O)=O)ncc2n1.
What is the InChIKey of 6-methyl-2-methylsulfonylimidazo[2,1-f][1,2,4]triazine?
The InChIKey is PJXCJOONIUKFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S/c1-5-4-11-6(9-5)3-8-7(10-11)14(2,12)13/h3-4H,1-2H3.
What are the key properties of 6-methyl-2-methylsulfonylimidazo[2,1-f][1,2,4]triazine?
6-methyl-2-methylsulfonylimidazo[2,1-f][1,2,4]triazine has a molecular weight of 212.23 g/mol, XLogP of -0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfonylimidazo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 96613245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).