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

C16H15N7O — CID 126648929

IUPAC7-[[3-(1-methylpyrazol-3-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCn1ccc(-c2cccc(COc3cc(N)nc4n[nH]nc34)c2)n1
InChIInChI=1S/C16H15N7O/c1-23-6-5-12(21-23)11-4-2-3-10(7-11)9-24-13-8-14(17)18-16-15(13)19-22-20-16/h2-8H,9H2,1H3,(H3,17,18,19,20,22)
InChIKeyWGMJNFFLMIILAZ-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.91
Rot. Bonds4

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

7-[[3-(1-methylpyrazol-3-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126648929) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 7-[[3-(1-methylpyrazol-3-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[3-(1-methylpyrazol-3-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126648929
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name7-[[3-(1-methylpyrazol-3-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCn1ccc(-c2cccc(COc3cc(N)nc4n[nH]nc34)c2)n1
InChIInChI=1S/C16H15N7O/c1-23-6-5-12(21-23)11-4-2-3-10(7-11)9-24-13-8-14(17)18-16-15(13)19-22-20-16/h2-8H,9H2,1H3,(H3,17,18,19,20,22)
InChIKeyWGMJNFFLMIILAZ-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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Frequently Asked Questions

What is the IUPAC name of 7-[[3-(1-methylpyrazol-3-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[3-(1-methylpyrazol-3-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126648929) is 7-[[3-(1-methylpyrazol-3-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[3-(1-methylpyrazol-3-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[3-(1-methylpyrazol-3-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Cn1ccc(-c2cccc(COc3cc(N)nc4n[nH]nc34)c2)n1.
What is the InChIKey of 7-[[3-(1-methylpyrazol-3-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is WGMJNFFLMIILAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c1-23-6-5-12(21-23)11-4-2-3-10(7-11)9-24-13-8-14(17)18-16-15(13)19-22-20-16/h2-8H,9H2,1H3,(H3,17,18,19,20,22).
What are the key properties of 7-[[3-(1-methylpyrazol-3-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[3-(1-methylpyrazol-3-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-3-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126648929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).