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

C19H18FN5 — CID 130450741

IUPAC7-[2-(2-fluorophenyl)-1-phenylethyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(Cc2ccccc2F)c2ccccc2)c2c(n1)NNN2
InChIInChI=1S/C19H18FN5/c20-16-9-5-4-8-13(16)10-14(12-6-2-1-3-7-12)15-11-17(21)22-19-18(15)23-25-24-19/h1-9,11,14,23,25H,10H2,(H3,21,22,24)
InChIKeyHRVCOYQTSFJFAM-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.43
Rot. Bonds4

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

7-[2-(2-fluorophenyl)-1-phenylethyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130450741) has the molecular formula C19H18FN5 and a molecular weight of 335.39 g/mol. Its IUPAC name is 7-[2-(2-fluorophenyl)-1-phenylethyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[2-(2-fluorophenyl)-1-phenylethyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130450741
Molecular FormulaC19H18FN5
Molecular Weight335.39 g/mol
Exact Mass335.15
IUPAC Name7-[2-(2-fluorophenyl)-1-phenylethyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(Cc2ccccc2F)c2ccccc2)c2c(n1)NNN2
InChIInChI=1S/C19H18FN5/c20-16-9-5-4-8-13(16)10-14(12-6-2-1-3-7-12)15-11-17(21)22-19-18(15)23-25-24-19/h1-9,11,14,23,25H,10H2,(H3,21,22,24)
InChIKeyHRVCOYQTSFJFAM-UHFFFAOYSA-N
XLogP3.43
TPSA75.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Related Compounds

7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702628
7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162659225
US10214527, Example 14
CID 126678957
7-(1,3-diphenylpropyl)-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371646
4-Phenyl-3-phenyldiazenylpyridine-2,6-diamine
CID 178312609
3-[(4-Benzylphenyl)diazenyl]pyridine-2,6-diamine
CID 178314709
1-Methyl-5-(4-fluorophenyl)-1-methyl-3,6,7,8-tetrahydrocyclopenta[d]pyrazolo[3,4-b]pyridine
CID 129754118
[6-[(4-Fluorophenyl)methyl]-2-pyridinyl]hydrazine
CID 53917375
4-[(4-Fluorophenyl)methyl]pyridine-2,3,6-triamine
CID 66589250
4-[1-(4-Fluorophenyl)ethyl]pyridine-2,3,6-triamine
CID 67455405
4-[2-(4-Fluorophenyl)ethyl]pyridine-2,3,6-triamine
CID 67457883
7-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126677809

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-fluorophenyl)-1-phenylethyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[2-(2-fluorophenyl)-1-phenylethyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (CID 130450741) is 7-[2-(2-fluorophenyl)-1-phenylethyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[2-(2-fluorophenyl)-1-phenylethyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[2-(2-fluorophenyl)-1-phenylethyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C(Cc2ccccc2F)c2ccccc2)c2c(n1)NNN2.
What is the InChIKey of 7-[2-(2-fluorophenyl)-1-phenylethyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is HRVCOYQTSFJFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5/c20-16-9-5-4-8-13(16)10-14(12-6-2-1-3-7-12)15-11-17(21)22-19-18(15)23-25-24-19/h1-9,11,14,23,25H,10H2,(H3,21,22,24).
What are the key properties of 7-[2-(2-fluorophenyl)-1-phenylethyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
7-[2-(2-fluorophenyl)-1-phenylethyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 335.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-fluorophenyl)-1-phenylethyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130450741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).