3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C14H17N3O — CID 117148913

IUPAC3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccccc1Cc1nnc2n1CCCC2
InChIInChI=1S/C14H17N3O/c1-18-12-7-3-2-6-11(12)10-14-16-15-13-8-4-5-9-17(13)14/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyGYKGGAVSWRIOKG-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.21
Rot. Bonds3

About 3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117148913) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117148913
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccccc1Cc1nnc2n1CCCC2
InChIInChI=1S/C14H17N3O/c1-18-12-7-3-2-6-11(12)10-14-16-15-13-8-4-5-9-17(13)14/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyGYKGGAVSWRIOKG-UHFFFAOYSA-N
XLogP2.21
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 117148913) is 3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is COc1ccccc1Cc1nnc2n1CCCC2.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GYKGGAVSWRIOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-12-7-3-2-6-11(12)10-14-16-15-13-8-4-5-9-17(13)14/h2-3,6-7H,4-5,8-10H2,1H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 243.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117148913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).