6-(5-fluoro-2-methoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C14H17FN4O — CID 82557413

IUPAC6-(5-fluoro-2-methoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(F)cc1C1CCc2nc(N)nn2C1C
InChIInChI=1S/C14H17FN4O/c1-8-10(4-6-13-17-14(16)18-19(8)13)11-7-9(15)3-5-12(11)20-2/h3,5,7-8,10H,4,6H2,1-2H3,(H2,16,18)
InChIKeyBLIUPJDTGMCJRY-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.30
Rot. Bonds2

About 6-(5-fluoro-2-methoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-(5-fluoro-2-methoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82557413) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 6-(5-fluoro-2-methoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-(5-fluoro-2-methoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82557413
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name6-(5-fluoro-2-methoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(F)cc1C1CCc2nc(N)nn2C1C
InChIInChI=1S/C14H17FN4O/c1-8-10(4-6-13-17-14(16)18-19(8)13)11-7-9(15)3-5-12(11)20-2/h3,5,7-8,10H,4,6H2,1-2H3,(H2,16,18)
InChIKeyBLIUPJDTGMCJRY-UHFFFAOYSA-N
XLogP2.30
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(5-fluoro-2-methoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 53620335
(E)-3-(2-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ylmethyl)prop-2-en-1-amine
CID 56780965
N-[2-(2-methoxyphenyl)ethyl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]acetamide
CID 72140616
3-(4-Methoxyphenethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 91889160
({1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl}methyl)methyl[(3-methyl-1H-1,2,4-triazol-5-yl)methyl]amine
CID 72849976
(1S)-1-[3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1H-1,2,4-triazol-5-yl]-2-(4-methoxyphenyl)ethanamine
CID 72883512
3-[(2-Methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117148913
5-(2-methoxybenzyl)-1-methyl-3-(3-methylbutyl)-1H-1,2,4-triazole
CID 124210510
3-[(2-methoxyphenyl)methyl]-5-[(3R)-oxolan-3-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 129620370
2-Bromo-8-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66618676
8-[4-(Trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 141512192
5-[3-(Trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 141512196

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-methoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-(5-fluoro-2-methoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82557413) is 6-(5-fluoro-2-methoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-(5-fluoro-2-methoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-(5-fluoro-2-methoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(F)cc1C1CCc2nc(N)nn2C1C.
What is the InChIKey of 6-(5-fluoro-2-methoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is BLIUPJDTGMCJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-8-10(4-6-13-17-14(16)18-19(8)13)11-7-9(15)3-5-12(11)20-2/h3,5,7-8,10H,4,6H2,1-2H3,(H2,16,18).
What are the key properties of 6-(5-fluoro-2-methoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-(5-fluoro-2-methoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 276.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-methoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82557413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).