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

C11H18N4O2 — CID 13374692

IUPAC3-tert-butyl-8-(methoxymethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESCOCN1CCn2c1nnc(C(C)(C)C)c2=O
InChIInChI=1S/C11H18N4O2/c1-11(2,3)8-9(16)15-6-5-14(7-17-4)10(15)13-12-8/h5-7H2,1-4H3
InChIKeyALMVPABWRDSBIR-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.36
Rot. Bonds2

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

3-tert-butyl-8-(methoxymethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (PubChem CID 13374692) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-tert-butyl-8-(methoxymethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-tert-butyl-8-(methoxymethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
PubChem CID13374692
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-tert-butyl-8-(methoxymethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESCOCN1CCn2c1nnc(C(C)(C)C)c2=O
InChIInChI=1S/C11H18N4O2/c1-11(2,3)8-9(16)15-6-5-14(7-17-4)10(15)13-12-8/h5-7H2,1-4H3
InChIKeyALMVPABWRDSBIR-UHFFFAOYSA-N
XLogP0.36
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-tert-butyl-8-(methoxymethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Tert-butyl-8-prop-2-ynyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
CID 13374639
8-Methyl-3-propan-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
CID 13374661
3-Tert-butyl-8-methylsulfonyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
CID 13374688
2-(3-Tert-butyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-8-yl)acetonitrile
CID 13374693
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-(methoxymethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The IUPAC name of 3-tert-butyl-8-(methoxymethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (CID 13374692) is 3-tert-butyl-8-(methoxymethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 3-tert-butyl-8-(methoxymethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 3-tert-butyl-8-(methoxymethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is COCN1CCn2c1nnc(C(C)(C)C)c2=O.
What is the InChIKey of 3-tert-butyl-8-(methoxymethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The InChIKey is ALMVPABWRDSBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2,3)8-9(16)15-6-5-14(7-17-4)10(15)13-12-8/h5-7H2,1-4H3.
What are the key properties of 3-tert-butyl-8-(methoxymethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
3-tert-butyl-8-(methoxymethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one has a molecular weight of 238.29 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-(methoxymethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 13374692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).