8-methyl-3-(2,4,5-trimethylfuran-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C13H18N4O — CID 65152695

IUPAC8-methyl-3-(2,4,5-trimethylfuran-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1oc(C)c(-c2nnc3n2CCNC3C)c1C
InChIInChI=1S/C13H18N4O/c1-7-9(3)18-10(4)11(7)13-16-15-12-8(2)14-5-6-17(12)13/h8,14H,5-6H2,1-4H3
InChIKeyQELAGZOYGUYFHO-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.13
Rot. Bonds1

About 8-methyl-3-(2,4,5-trimethylfuran-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

8-methyl-3-(2,4,5-trimethylfuran-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 65152695) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 8-methyl-3-(2,4,5-trimethylfuran-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-methyl-3-(2,4,5-trimethylfuran-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID65152695
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name8-methyl-3-(2,4,5-trimethylfuran-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1oc(C)c(-c2nnc3n2CCNC3C)c1C
InChIInChI=1S/C13H18N4O/c1-7-9(3)18-10(4)11(7)13-16-15-12-8(2)14-5-6-17(12)13/h8,14H,5-6H2,1-4H3
InChIKeyQELAGZOYGUYFHO-UHFFFAOYSA-N
XLogP2.13
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methyl-3-(2,4,5-trimethylfuran-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(2,4,5-trimethylfuran-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-methyl-3-(2,4,5-trimethylfuran-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 65152695) is 8-methyl-3-(2,4,5-trimethylfuran-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-methyl-3-(2,4,5-trimethylfuran-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-methyl-3-(2,4,5-trimethylfuran-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is Cc1oc(C)c(-c2nnc3n2CCNC3C)c1C.
What is the InChIKey of 8-methyl-3-(2,4,5-trimethylfuran-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is QELAGZOYGUYFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-7-9(3)18-10(4)11(7)13-16-15-12-8(2)14-5-6-17(12)13/h8,14H,5-6H2,1-4H3.
What are the key properties of 8-methyl-3-(2,4,5-trimethylfuran-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-methyl-3-(2,4,5-trimethylfuran-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 246.31 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(2,4,5-trimethylfuran-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 65152695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).