7-[[6-(3-fluorophenyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C17H13FN6O — CID 118950209

IUPAC7-[[6-(3-fluorophenyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cccc(-c3cccc(F)c3)n2)c2n[nH]nc2n1
InChIInChI=1S/C17H13FN6O/c18-11-4-1-3-10(7-11)13-6-2-5-12(20-13)9-25-14-8-15(19)21-17-16(14)22-24-23-17/h1-8H,9H2,(H3,19,21,22,23,24)
InChIKeyQHPNIPNYFBRTFT-UHFFFAOYSA-N
MW336.33 g/mol
LogP2.72
Rot. Bonds4

About 7-[[6-(3-fluorophenyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[6-(3-fluorophenyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 118950209) has the molecular formula C17H13FN6O and a molecular weight of 336.33 g/mol. Its IUPAC name is 7-[[6-(3-fluorophenyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[6-(3-fluorophenyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID118950209
Molecular FormulaC17H13FN6O
Molecular Weight336.33 g/mol
Exact Mass336.11
IUPAC Name7-[[6-(3-fluorophenyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cccc(-c3cccc(F)c3)n2)c2n[nH]nc2n1
InChIInChI=1S/C17H13FN6O/c18-11-4-1-3-10(7-11)13-6-2-5-12(20-13)9-25-14-8-15(19)21-17-16(14)22-24-23-17/h1-8H,9H2,(H3,19,21,22,23,24)
InChIKeyQHPNIPNYFBRTFT-UHFFFAOYSA-N
XLogP2.72
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648919
7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648929
4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335801
7-phenylmethoxy-2H-triazolo[4,5-b]pyridin-5-amine
CID 6415548
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-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648798
7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648904
7-((2-Fluorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648996
7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649069
7-[(2-pyrazol-1-ylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649120

Frequently Asked Questions

What is the IUPAC name of 7-[[6-(3-fluorophenyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[6-(3-fluorophenyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 118950209) is 7-[[6-(3-fluorophenyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[6-(3-fluorophenyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[6-(3-fluorophenyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2cccc(-c3cccc(F)c3)n2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[6-(3-fluorophenyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is QHPNIPNYFBRTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O/c18-11-4-1-3-10(7-11)13-6-2-5-12(20-13)9-25-14-8-15(19)21-17-16(14)22-24-23-17/h1-8H,9H2,(H3,19,21,22,23,24).
What are the key properties of 7-[[6-(3-fluorophenyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[6-(3-fluorophenyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 336.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-(3-fluorophenyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 118950209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).