3-tert-butyl-8-methylsulfonyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one

C10H16N4O3S — CID 13374688

IUPAC3-tert-butyl-8-methylsulfonyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESCC(C)(C)c1nnc2n(c1=O)CCN2S(C)(=O)=O
InChIInChI=1S/C10H16N4O3S/c1-10(2,3)7-8(15)13-5-6-14(18(4,16)17)9(13)12-11-7/h5-6H2,1-4H3
InChIKeyIWTMTFYREGPLAL-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.28
Rot. Bonds1

About 3-tert-butyl-8-methylsulfonyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one

3-tert-butyl-8-methylsulfonyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (PubChem CID 13374688) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-tert-butyl-8-methylsulfonyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-tert-butyl-8-methylsulfonyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
PubChem CID13374688
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name3-tert-butyl-8-methylsulfonyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESCC(C)(C)c1nnc2n(c1=O)CCN2S(C)(=O)=O
InChIInChI=1S/C10H16N4O3S/c1-10(2,3)7-8(15)13-5-6-14(18(4,16)17)9(13)12-11-7/h5-6H2,1-4H3
InChIKeyIWTMTFYREGPLAL-UHFFFAOYSA-N
XLogP-0.28
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Tert-butyl-8-(trifluoromethylsulfonyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
CID 13374689
3-Tert-butyl-8-(methoxymethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
CID 13374692
3-Tert-butyl-8-ethyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
CID 13374695

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-methylsulfonyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The IUPAC name of 3-tert-butyl-8-methylsulfonyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (CID 13374688) is 3-tert-butyl-8-methylsulfonyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 3-tert-butyl-8-methylsulfonyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 3-tert-butyl-8-methylsulfonyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is CC(C)(C)c1nnc2n(c1=O)CCN2S(C)(=O)=O.
What is the InChIKey of 3-tert-butyl-8-methylsulfonyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The InChIKey is IWTMTFYREGPLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-10(2,3)7-8(15)13-5-6-14(18(4,16)17)9(13)12-11-7/h5-6H2,1-4H3.
What are the key properties of 3-tert-butyl-8-methylsulfonyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
3-tert-butyl-8-methylsulfonyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one has a molecular weight of 272.33 g/mol, XLogP of -0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-methylsulfonyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 13374688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).