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

C14H17FN4O — CID 82557276

IUPAC6-(2-fluoro-4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(C2CC(C)c3nc(N)nn3C2)c(F)c1
InChIInChI=1S/C14H17FN4O/c1-8-5-9(7-19-13(8)17-14(16)18-19)11-4-3-10(20-2)6-12(11)15/h3-4,6,8-9H,5,7H2,1-2H3,(H2,16,18)
InChIKeyGDFGJKYLJKUHOL-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.30
Rot. Bonds2

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

6-(2-fluoro-4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82557276) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is 6-(2-fluoro-4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-(2-fluoro-4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82557276
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name6-(2-fluoro-4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(C2CC(C)c3nc(N)nn3C2)c(F)c1
InChIInChI=1S/C14H17FN4O/c1-8-5-9(7-19-13(8)17-14(16)18-19)11-4-3-10(20-2)6-12(11)15/h3-4,6,8-9H,5,7H2,1-2H3,(H2,16,18)
InChIKeyGDFGJKYLJKUHOL-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 ≤ 500276.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-fluoro-4-methoxyphenyl)-8-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-[(3-fluoro-4-methoxyphenyl)methyl]piperidine
CID 53609917
2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidine
CID 53612872
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
1-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 71929246
3-(4-Methoxyphenethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 91889160
(1S)-1-[1-cyclohexyl-3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]-2-(4-methoxyphenyl)ethanamine
CID 72871350
(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
4-[1-butyl-3-(4-methoxybenzyl)-1H-1,2,4-triazol-5-yl]-1-methylpiperidin-4-ol
CID 131900405
3-[2-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 136551578

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-(2-fluoro-4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82557276) is 6-(2-fluoro-4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-(2-fluoro-4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-(2-fluoro-4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(C2CC(C)c3nc(N)nn3C2)c(F)c1.
What is the InChIKey of 6-(2-fluoro-4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is GDFGJKYLJKUHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-8-5-9(7-19-13(8)17-14(16)18-19)11-4-3-10(20-2)6-12(11)15/h3-4,6,8-9H,5,7H2,1-2H3,(H2,16,18).
What are the key properties of 6-(2-fluoro-4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-(2-fluoro-4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 276.32 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-(2-fluoro-4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82557276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).