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

C12H15N3O — CID 136559800

IUPAC3-(furan-3-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1(C)CCc2nnc(-c3ccoc3)n2C1
InChIInChI=1S/C12H15N3O/c1-12(2)5-3-10-13-14-11(15(10)8-12)9-4-6-16-7-9/h4,6-7H,3,5,8H2,1-2H3
InChIKeyACBDXFXNOCIOEQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.51
Rot. Bonds1

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

3-(furan-3-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 136559800) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(furan-3-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(furan-3-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID136559800
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-(furan-3-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1(C)CCc2nnc(-c3ccoc3)n2C1
InChIInChI=1S/C12H15N3O/c1-12(2)5-3-10-13-14-11(15(10)8-12)9-4-6-16-7-9/h4,6-7H,3,5,8H2,1-2H3
InChIKeyACBDXFXNOCIOEQ-UHFFFAOYSA-N
XLogP2.51
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(furan-3-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(furan-3-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (CID 136559800) is 3-(furan-3-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(furan-3-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(furan-3-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is CC1(C)CCc2nnc(-c3ccoc3)n2C1.
What is the InChIKey of 3-(furan-3-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ACBDXFXNOCIOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(2)5-3-10-13-14-11(15(10)8-12)9-4-6-16-7-9/h4,6-7H,3,5,8H2,1-2H3.
What are the key properties of 3-(furan-3-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
3-(furan-3-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 217.27 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 136559800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).