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

C14H17FN4O2 — CID 83966034

IUPAC3-(3,4-dimethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCOc1ccc(-c2nnc3n2CC(F)CC3N)cc1OC
InChIInChI=1S/C14H17FN4O2/c1-20-11-4-3-8(5-12(11)21-2)13-17-18-14-10(16)6-9(15)7-19(13)14/h3-5,9-10H,6-7,16H2,1-2H3
InChIKeyDVZVASXLUWXUPT-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.70
Rot. Bonds3

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

3-(3,4-dimethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 83966034) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID83966034
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name3-(3,4-dimethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCOc1ccc(-c2nnc3n2CC(F)CC3N)cc1OC
InChIInChI=1S/C14H17FN4O2/c1-20-11-4-3-8(5-12(11)21-2)13-17-18-14-10(16)6-9(15)7-19(13)14/h3-5,9-10H,6-7,16H2,1-2H3
InChIKeyDVZVASXLUWXUPT-UHFFFAOYSA-N
XLogP1.70
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83965923
5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline
CID 83967027
3-(4-fluoro-3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 81284224
3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117153166
[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 82131112
2-cyclopropyl-4-(3,4-dimethoxyphenyl)imidazole-1,5-diamine
CID 62483620
1-(3,4-dimethoxyphenyl)-2-methylpiperidin-4-amine
CID 54975867
4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine
CID 68843943
4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyaniline
CID 82472145
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
CID 43142283
1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole
CID 165421175

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 83966034) is 3-(3,4-dimethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine is COc1ccc(-c2nnc3n2CC(F)CC3N)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is DVZVASXLUWXUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-20-11-4-3-8(5-12(11)21-2)13-17-18-14-10(16)6-9(15)7-19(13)14/h3-5,9-10H,6-7,16H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
3-(3,4-dimethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 292.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 83966034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).