7-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C16H15N7O — CID 126648798

IUPAC7-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCn1cc(-c2cccc(COc3cc(N)nc4n[nH]nc34)c2)cn1
InChIInChI=1S/C16H15N7O/c1-23-8-12(7-18-23)11-4-2-3-10(5-11)9-24-13-6-14(17)19-16-15(13)20-22-21-16/h2-8H,9H2,1H3,(H3,17,19,20,21,22)
InChIKeyQFIVJVOKCGWBHN-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.91
Rot. Bonds4

About 7-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126648798) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 7-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126648798
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name7-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCn1cc(-c2cccc(COc3cc(N)nc4n[nH]nc34)c2)cn1
InChIInChI=1S/C16H15N7O/c1-23-8-12(7-18-23)11-4-2-3-10(5-11)9-24-13-6-14(17)19-16-15(13)20-22-21-16/h2-8H,9H2,1H3,(H3,17,19,20,21,22)
InChIKeyQFIVJVOKCGWBHN-UHFFFAOYSA-N
XLogP1.91
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-Methyl-3-(4-methylpyridin-3-yl)-6-(pyridin-2-ylmethoxy)pyrazolo[3,4-b]pyrazine
CID 72165213
Methyl substituted pyrazole, 27
CID 23648674
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
Methyl substituted pyrazole, 28
CID 23648676
7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648929
7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 138712432
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-phenylpyrazolo[1,5-d][1,2,4]triazine
CID 9865768
3,7-bis(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 9888315
7-(2-fluorophenyl)-3-(3-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 9909977
7-(2-Fluorophenyl)-2-(2-methyl-2H-[1,2,4]triazol-3-ylmethoxy)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazine
CID 18406840
3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406861

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126648798) is 7-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Cn1cc(-c2cccc(COc3cc(N)nc4n[nH]nc34)c2)cn1.
What is the InChIKey of 7-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is QFIVJVOKCGWBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c1-23-8-12(7-18-23)11-4-2-3-10(5-11)9-24-13-6-14(17)19-16-15(13)20-22-21-16/h2-8H,9H2,1H3,(H3,17,19,20,21,22).
What are the key properties of 7-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 321.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126648798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).