3-(furan-3-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C10H12N4O — CID 58095876

IUPAC3-(furan-3-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCN1CCn2c(nnc2-c2ccoc2)C1
InChIInChI=1S/C10H12N4O/c1-13-3-4-14-9(6-13)11-12-10(14)8-2-5-15-7-8/h2,5,7H,3-4,6H2,1H3
InChIKeyXWBGTIYBCISXMV-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.98
Rot. Bonds1

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

3-(furan-3-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 58095876) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(furan-3-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(furan-3-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID58095876
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-(furan-3-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCN1CCn2c(nnc2-c2ccoc2)C1
InChIInChI=1S/C10H12N4O/c1-13-3-4-14-9(6-13)11-12-10(14)8-2-5-15-7-8/h2,5,7H,3-4,6H2,1H3
InChIKeyXWBGTIYBCISXMV-UHFFFAOYSA-N
XLogP0.98
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(furan-3-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 58095876) is 3-(furan-3-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(furan-3-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(furan-3-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CN1CCn2c(nnc2-c2ccoc2)C1.
What is the InChIKey of 3-(furan-3-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is XWBGTIYBCISXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-13-3-4-14-9(6-13)11-12-10(14)8-2-5-15-7-8/h2,5,7H,3-4,6H2,1H3.
What are the key properties of 3-(furan-3-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-(furan-3-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 204.23 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 58095876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).