[2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol

C15H19N3O2 — CID 117155065

IUPAC[2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol
SMILESCOc1ccc(Cc2nc3n(n2)C(CO)CCC3)cc1
InChIInChI=1S/C15H19N3O2/c1-20-13-7-5-11(6-8-13)9-14-16-15-4-2-3-12(10-19)18(15)17-14/h5-8,12,19H,2-4,9-10H2,1H3
InChIKeyOQJVKKWXMPCDQE-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.75
Rot. Bonds4

About [2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol

[2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol (PubChem CID 117155065) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol
PubChem CID117155065
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol
SMILESCOc1ccc(Cc2nc3n(n2)C(CO)CCC3)cc1
InChIInChI=1S/C15H19N3O2/c1-20-13-7-5-11(6-8-13)9-14-16-15-4-2-3-12(10-19)18(15)17-14/h5-8,12,19H,2-4,9-10H2,1H3
InChIKeyOQJVKKWXMPCDQE-UHFFFAOYSA-N
XLogP1.75
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol?
The IUPAC name of [2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol (CID 117155065) is [2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol.
What is the SMILES notation for [2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol?
The canonical SMILES for [2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol is COc1ccc(Cc2nc3n(n2)C(CO)CCC3)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol?
The InChIKey is OQJVKKWXMPCDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-13-7-5-11(6-8-13)9-14-16-15-4-2-3-12(10-19)18(15)17-14/h5-8,12,19H,2-4,9-10H2,1H3.
What are the key properties of [2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol?
[2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol has a molecular weight of 273.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol is sourced from PubChem (CID 117155065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).