[5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol

C15H14N8O2 — CID 130365899

IUPAC[5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol
SMILESNc1cc(OCc2nn(-c3ccccc3)nc2CO)c2n[nH]nc2n1
InChIInChI=1S/C15H14N8O2/c16-13-6-12(14-15(17-13)19-22-18-14)25-8-11-10(7-24)20-23(21-11)9-4-2-1-3-5-9/h1-6,24H,7-8H2,(H3,16,17,18,19,22)
InChIKeySOJXVVCLQLEYGL-UHFFFAOYSA-N
MW338.33 g/mol
LogP0.59
Rot. Bonds5

About [5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol

[5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol (PubChem CID 130365899) has the molecular formula C15H14N8O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is [5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol
PubChem CID130365899
Molecular FormulaC15H14N8O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name[5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol
SMILESNc1cc(OCc2nn(-c3ccccc3)nc2CO)c2n[nH]nc2n1
InChIInChI=1S/C15H14N8O2/c16-13-6-12(14-15(17-13)19-22-18-14)25-8-11-10(7-24)20-23(21-11)9-4-2-1-3-5-9/h1-6,24H,7-8H2,(H3,16,17,18,19,22)
InChIKeySOJXVVCLQLEYGL-UHFFFAOYSA-N
XLogP0.59
TPSA140.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol with MolForge

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Related Compounds

7-phenylmethoxy-2H-triazolo[4,5-b]pyridin-5-amine
CID 6415548
7-[(1-phenyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949632
7-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950056
7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950274
7-((2-Fluorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648996
7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949422
7-[[2-(3-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949625
7-[[6-(trifluoromethyl)pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949703
7-[[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949729
7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949734
7-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950273
7-[(2,4-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648882

Frequently Asked Questions

What is the IUPAC name of [5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol?
The IUPAC name of [5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol (CID 130365899) is [5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol.
What is the SMILES notation for [5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol?
The canonical SMILES for [5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol is Nc1cc(OCc2nn(-c3ccccc3)nc2CO)c2n[nH]nc2n1.
What is the InChIKey of [5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol?
The InChIKey is SOJXVVCLQLEYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8O2/c16-13-6-12(14-15(17-13)19-22-18-14)25-8-11-10(7-24)20-23(21-11)9-4-2-1-3-5-9/h1-6,24H,7-8H2,(H3,16,17,18,19,22).
What are the key properties of [5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol?
[5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol has a molecular weight of 338.33 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol is sourced from PubChem (CID 130365899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).