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

C13H14F2N4 — CID 82557268

IUPAC6-(3,4-difluorophenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC1CC(c2ccc(F)c(F)c2)Cn2nc(N)nc21
InChIInChI=1S/C13H14F2N4/c1-7-4-9(6-19-12(7)17-13(16)18-19)8-2-3-10(14)11(15)5-8/h2-3,5,7,9H,4,6H2,1H3,(H2,16,18)
InChIKeyJAGADOXFGSHPFE-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.43
Rot. Bonds1

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

6-(3,4-difluorophenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82557268) has the molecular formula C13H14F2N4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82557268
Molecular FormulaC13H14F2N4
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name6-(3,4-difluorophenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC1CC(c2ccc(F)c(F)c2)Cn2nc(N)nc21
InChIInChI=1S/C13H14F2N4/c1-7-4-9(6-19-12(7)17-13(16)18-19)8-2-3-10(14)11(15)5-8/h2-3,5,7,9H,4,6H2,1H3,(H2,16,18)
InChIKeyJAGADOXFGSHPFE-UHFFFAOYSA-N
XLogP2.43
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,4-difluorophenyl)-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-(2-amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol
CID 82557260
8-methyl-6-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557247
8-methyl-6-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557248
6-(2,3-dichlorophenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557301
2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine
CID 82292770
2-amino-6-(3-cyanophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82557506
6-(3,5-difluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557133
3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine
CID 81414919
trans-(1S,2R)-2-(3,4-difluorophenyl)cyclopropan-1-amine;trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine
CID 154925657
1,2-difluoro-4-(3-propylcyclobutyl)benzene
CID 19387615
(3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 71040970
1-[[3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]imidazole
CID 91430060

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-(3,4-difluorophenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82557268) is 6-(3,4-difluorophenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-(3,4-difluorophenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-(3,4-difluorophenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC1CC(c2ccc(F)c(F)c2)Cn2nc(N)nc21.
What is the InChIKey of 6-(3,4-difluorophenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is JAGADOXFGSHPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4/c1-7-4-9(6-19-12(7)17-13(16)18-19)8-2-3-10(14)11(15)5-8/h2-3,5,7,9H,4,6H2,1H3,(H2,16,18).
What are the key properties of 6-(3,4-difluorophenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-(3,4-difluorophenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 264.28 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82557268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).