7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C16H16N8O2 — CID 118950249

IUPAC7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCOc1cccc(-n2nc(C)c(COc3cc(N)nc4n[nH]nc34)n2)c1
InChIInChI=1S/C16H16N8O2/c1-9-12(22-24(21-9)10-4-3-5-11(6-10)25-2)8-26-13-7-14(17)18-16-15(13)19-23-20-16/h3-7H,8H2,1-2H3,(H3,17,18,19,20,23)
InChIKeyLZEKBSVSRVWQJW-UHFFFAOYSA-N
MW352.36 g/mol
LogP1.41
Rot. Bonds5

About 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 118950249) has the molecular formula C16H16N8O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID118950249
Molecular FormulaC16H16N8O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCOc1cccc(-n2nc(C)c(COc3cc(N)nc4n[nH]nc34)n2)c1
InChIInChI=1S/C16H16N8O2/c1-9-12(22-24(21-9)10-4-3-5-11(6-10)25-2)8-26-13-7-14(17)18-16-15(13)19-23-20-16/h3-7H,8H2,1-2H3,(H3,17,18,19,20,23)
InChIKeyLZEKBSVSRVWQJW-UHFFFAOYSA-N
XLogP1.41
TPSA129.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

3H-1,2,3-Triazolo[4,5-b]pyridin-5-amine, 7-methoxy-N-(4-piperidinylmethyl)-3-[3-(trifluoromethoxy)phenyl]-
CID 53372790
7-phenylmethoxy-2H-triazolo[4,5-b]pyridin-5-amine
CID 6415548
N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 53372416
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
[5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol
CID 130365899
N-(2,5-Diethoxyphenyl)-[1,2,3,4]tetrazolo[1,5-A]quinoxalin-4-amine
CID 16011733
US10981879, Example 69
CID 130365214
3-Methoxy-2-methyl-6-phenoxyimidazo[1,2-b]pyridazine
CID 177638495
3-(3-Methoxyphenyl)triazolo[4,5-d]pyrimidine-5,7-diamine
CID 390792

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 118950249) is 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is COc1cccc(-n2nc(C)c(COc3cc(N)nc4n[nH]nc34)n2)c1.
What is the InChIKey of 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is LZEKBSVSRVWQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O2/c1-9-12(22-24(21-9)10-4-3-5-11(6-10)25-2)8-26-13-7-14(17)18-16-15(13)19-23-20-16/h3-7H,8H2,1-2H3,(H3,17,18,19,20,23).
What are the key properties of 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 352.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 118950249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).