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

C11H18N4O — CID 13374695

IUPAC3-tert-butyl-8-ethyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESCCN1CCn2c1nnc(C(C)(C)C)c2=O
InChIInChI=1S/C11H18N4O/c1-5-14-6-7-15-9(16)8(11(2,3)4)12-13-10(14)15/h5-7H2,1-4H3
InChIKeyQSJQCSDGTKDANQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.78
Rot. Bonds1

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

3-tert-butyl-8-ethyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (PubChem CID 13374695) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-tert-butyl-8-ethyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-tert-butyl-8-ethyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
PubChem CID13374695
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-tert-butyl-8-ethyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESCCN1CCn2c1nnc(C(C)(C)C)c2=O
InChIInChI=1S/C11H18N4O/c1-5-14-6-7-15-9(16)8(11(2,3)4)12-13-10(14)15/h5-7H2,1-4H3
InChIKeyQSJQCSDGTKDANQ-UHFFFAOYSA-N
XLogP0.78
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-ethyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The IUPAC name of 3-tert-butyl-8-ethyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (CID 13374695) is 3-tert-butyl-8-ethyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 3-tert-butyl-8-ethyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 3-tert-butyl-8-ethyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is CCN1CCn2c1nnc(C(C)(C)C)c2=O.
What is the InChIKey of 3-tert-butyl-8-ethyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The InChIKey is QSJQCSDGTKDANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-5-14-6-7-15-9(16)8(11(2,3)4)12-13-10(14)15/h5-7H2,1-4H3.
What are the key properties of 3-tert-butyl-8-ethyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
3-tert-butyl-8-ethyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one has a molecular weight of 222.29 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-ethyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 13374695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).