3-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine

C12H11N3O — CID 117147336

IUPAC3-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccn2c(Cc3ccco3)nnc12
InChIInChI=1S/C12H11N3O/c1-9-4-2-6-15-11(13-14-12(9)15)8-10-5-3-7-16-10/h2-7H,8H2,1H3
InChIKeyPWSQXUWARNSDIB-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.22
Rot. Bonds2

About 3-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine

3-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117147336) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117147336
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name3-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccn2c(Cc3ccco3)nnc12
InChIInChI=1S/C12H11N3O/c1-9-4-2-6-15-11(13-14-12(9)15)8-10-5-3-7-16-10/h2-7H,8H2,1H3
InChIKeyPWSQXUWARNSDIB-UHFFFAOYSA-N
XLogP2.22
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117147341
8-methyl-3-propyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147073
3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117146970
2-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117137872
3-chloro-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 55267696
3-(furan-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117140006
8-methyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146664
3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138682
methyl 3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140392
3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117147016
3-[[(2S)-butan-2-yl]iminomethyl]-2-(furan-2-ylmethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 2324129
8-methyl-3-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146706

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 117147336) is 3-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine is Cc1cccn2c(Cc3ccco3)nnc12.
What is the InChIKey of 3-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is PWSQXUWARNSDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-9-4-2-6-15-11(13-14-12(9)15)8-10-5-3-7-16-10/h2-7H,8H2,1H3.
What are the key properties of 3-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
3-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 213.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117147336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).