7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

C18H16FN5 — CID 126678950

IUPAC7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cccc(-c3cccc(F)c3)c2)c2c(n1)NNN2
InChIInChI=1S/C18H16FN5/c19-15-6-2-5-13(9-15)12-4-1-3-11(7-12)8-14-10-16(20)21-18-17(14)22-24-23-18/h1-7,9-10,22,24H,8H2,(H3,20,21,23)
InChIKeyZYHMMJHOWFTLOH-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.32
Rot. Bonds3

About 7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126678950) has the molecular formula C18H16FN5 and a molecular weight of 321.36 g/mol. Its IUPAC name is 7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126678950
Molecular FormulaC18H16FN5
Molecular Weight321.36 g/mol
Exact Mass321.14
IUPAC Name7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cccc(-c3cccc(F)c3)c2)c2c(n1)NNN2
InChIInChI=1S/C18H16FN5/c19-15-6-2-5-13(9-15)12-4-1-3-11(7-12)8-14-10-16(20)21-18-17(14)22-24-23-18/h1-7,9-10,22,24H,8H2,(H3,20,21,23)
InChIKeyZYHMMJHOWFTLOH-UHFFFAOYSA-N
XLogP3.32
TPSA75.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

US10214527, Example 17
CID 126650314
US10214527, Example 14
CID 126678957
US10214527, Example 16
CID 126679198
4-Phenyl-3-phenyldiazenylpyridine-2,6-diamine
CID 178312609
1-Methyl-5-(4-fluorophenyl)-1-methyl-3,6,7,8-tetrahydrocyclopenta[d]pyrazolo[3,4-b]pyridine
CID 129754118
7-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126677809
7-[(2,5-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126677860
7-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126677861
4-[2-[4-(3-Fluoro-4-methylphenyl)phenyl]ethyl]-6-methylpyridine-2,5-diamine
CID 126678936
7-[(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126678989
7-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126679213
7-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126679214

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (CID 126678950) is 7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2cccc(-c3cccc(F)c3)c2)c2c(n1)NNN2.
What is the InChIKey of 7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is ZYHMMJHOWFTLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5/c19-15-6-2-5-13(9-15)12-4-1-3-11(7-12)8-14-10-16(20)21-18-17(14)22-24-23-18/h1-7,9-10,22,24H,8H2,(H3,20,21,23).
What are the key properties of 7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 321.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126678950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).