8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C13H15FN4O — CID 82557010

IUPAC8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(C2CCCn3nc(N)nc32)cc1F
InChIInChI=1S/C13H15FN4O/c1-19-11-5-4-8(7-10(11)14)9-3-2-6-18-12(9)16-13(15)17-18/h4-5,7,9H,2-3,6H2,1H3,(H2,15,17)
InChIKeyJLYTZOCLJDEBCA-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.93
Rot. Bonds2

About 8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82557010) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82557010
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(C2CCCn3nc(N)nc32)cc1F
InChIInChI=1S/C13H15FN4O/c1-19-11-5-4-8(7-10(11)14)9-3-2-6-18-12(9)16-13(15)17-18/h4-5,7,9H,2-3,6H2,1H3,(H2,15,17)
InChIKeyJLYTZOCLJDEBCA-UHFFFAOYSA-N
XLogP1.93
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(3-fluoro-4-methoxyphenyl)-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
3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 53620335
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
3-[2-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 136551578
6-[4-[4-(4,4,4-Trifluorobutoxy)phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
CID 46892692
2-Bromo-8-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66618676
N'-ethyl-N-[[2-fluoro-5-[[11-[4-(trifluoromethoxy)phenyl]-6,7,8,9,10,11-hexahydro-5H-[1,2,4]triazolo[1,5-a]azonin-2-yl]imino]cyclohepta-1,3,6-trien-1-yl]amino]ethanimidamide
CID 91142392

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82557010) is 8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(C2CCCn3nc(N)nc32)cc1F.
What is the InChIKey of 8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is JLYTZOCLJDEBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-19-11-5-4-8(7-10(11)14)9-3-2-6-18-12(9)16-13(15)17-18/h4-5,7,9H,2-3,6H2,1H3,(H2,15,17).
What are the key properties of 8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 262.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82557010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).