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

C18H13F2N5O — CID 126649072

IUPAC7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-6-amine
SMILESNc1cnc2n[nH]nc2c1OCc1cccc(-c2cccc(F)c2)c1F
InChIInChI=1S/C18H13F2N5O/c19-12-5-1-3-10(7-12)13-6-2-4-11(15(13)20)9-26-17-14(21)8-22-18-16(17)23-25-24-18/h1-8H,9,21H2,(H,22,23,24,25)
InChIKeyKGVSSHZQWMYWFF-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.46
Rot. Bonds4

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

7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-6-amine (PubChem CID 126649072) has the molecular formula C18H13F2N5O and a molecular weight of 353.33 g/mol. Its IUPAC name is 7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-6-amine
PubChem CID126649072
Molecular FormulaC18H13F2N5O
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC Name7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-6-amine
SMILESNc1cnc2n[nH]nc2c1OCc1cccc(-c2cccc(F)c2)c1F
InChIInChI=1S/C18H13F2N5O/c19-12-5-1-3-10(7-12)13-6-2-4-11(15(13)20)9-26-17-14(21)8-22-18-16(17)23-25-24-18/h1-8H,9,21H2,(H,22,23,24,25)
InChIKeyKGVSSHZQWMYWFF-UHFFFAOYSA-N
XLogP3.46
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649071
7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649157
4-(3-fluorophenyl)naphthalen-1-amine
CID 171396853
5-(3-fluorophenyl)pyridazin-4-amine
CID 117127407
[2,5-bis(3-fluorophenyl)-4-pyridinyl]methanol
CID 131870607
2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline
CID 104831279
2-fluoro-1-(3-fluorophenyl)-3-methylbenzene
CID 46313946
ethyl 5-[2-[(3-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxylate
CID 169399648
2-[2-(3-fluorophenyl)phenyl]ethanamine;hydrochloride
CID 164885898
3-fluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 113458208
7-(3-fluorophenyl)-4-(4-fluorophenyl)isoquinolin-1-amine
CID 44527392
1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene
CID 22008080

Frequently Asked Questions

What is the IUPAC name of 7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-6-amine?
The IUPAC name of 7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-6-amine (CID 126649072) is 7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-6-amine?
The canonical SMILES for 7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-6-amine is Nc1cnc2n[nH]nc2c1OCc1cccc(-c2cccc(F)c2)c1F.
What is the InChIKey of 7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-6-amine?
The InChIKey is KGVSSHZQWMYWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O/c19-12-5-1-3-10(7-12)13-6-2-4-11(15(13)20)9-26-17-14(21)8-22-18-16(17)23-25-24-18/h1-8H,9,21H2,(H,22,23,24,25).
What are the key properties of 7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-6-amine?
7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-6-amine has a molecular weight of 353.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 126649072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).