2-(2-amino-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol

C13H16N4O2 — CID 82557730

IUPAC2-(2-amino-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol
SMILESCOC1CCC(c2ccccc2O)n2nc(N)nc21
InChIInChI=1S/C13H16N4O2/c1-19-11-7-6-9(8-4-2-3-5-10(8)18)17-12(11)15-13(14)16-17/h2-5,9,11,18H,6-7H2,1H3,(H2,14,16)
InChIKeyDLAIRWNHFWPWSS-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.64
Rot. Bonds2

About 2-(2-amino-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol

2-(2-amino-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol (PubChem CID 82557730) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(2-amino-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol.

Molecular Properties

Compound Name2-(2-amino-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol
PubChem CID82557730
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(2-amino-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol
SMILESCOC1CCC(c2ccccc2O)n2nc(N)nc21
InChIInChI=1S/C13H16N4O2/c1-19-11-7-6-9(8-4-2-3-5-10(8)18)17-12(11)15-13(14)16-17/h2-5,9,11,18H,6-7H2,1H3,(H2,14,16)
InChIKeyDLAIRWNHFWPWSS-UHFFFAOYSA-N
XLogP1.64
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol?
The IUPAC name of 2-(2-amino-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol (CID 82557730) is 2-(2-amino-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol.
What is the SMILES notation for 2-(2-amino-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol?
The canonical SMILES for 2-(2-amino-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol is COC1CCC(c2ccccc2O)n2nc(N)nc21.
What is the InChIKey of 2-(2-amino-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol?
The InChIKey is DLAIRWNHFWPWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-19-11-7-6-9(8-4-2-3-5-10(8)18)17-12(11)15-13(14)16-17/h2-5,9,11,18H,6-7H2,1H3,(H2,14,16).
What are the key properties of 2-(2-amino-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol?
2-(2-amino-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol has a molecular weight of 260.30 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol is sourced from PubChem (CID 82557730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).