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

C12H12F2N4 — CID 82557133

IUPAC6-(3,5-difluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2n(n1)CC(c1cc(F)cc(F)c1)CC2
InChIInChI=1S/C12H12F2N4/c13-9-3-8(4-10(14)5-9)7-1-2-11-16-12(15)17-18(11)6-7/h3-5,7H,1-2,6H2,(H2,15,17)
InChIKeyAHFSLSDTZAXHIG-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.87
Rot. Bonds1

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

6-(3,5-difluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82557133) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82557133
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name6-(3,5-difluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2n(n1)CC(c1cc(F)cc(F)c1)CC2
InChIInChI=1S/C12H12F2N4/c13-9-3-8(4-10(14)5-9)7-1-2-11-16-12(15)17-18(11)6-7/h3-5,7H,1-2,6H2,(H2,15,17)
InChIKeyAHFSLSDTZAXHIG-UHFFFAOYSA-N
XLogP1.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-[4-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557153
6-(3-fluorophenyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557324
9-(3-chloro-5-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
CID 139331734
[[5-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-difluoromethyl]-oxosulfanium
CID 174143148
7-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557056
3-(3,5-difluorophenyl)cyclopentan-1-amine
CID 64503877
8-methyl-6-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557247
[5-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-difluoromethanesulfinate
CID 170307017
1,3-difluoro-5-(4-methylcyclohexyl)benzene
CID 18720773
5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxyaniline
CID 83966817
3-(3,5-difluorophenyl)cycloheptan-1-amine
CID 64505323
3-(3,5-difluorophenyl)cyclohexan-1-amine
CID 64503888

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-(3,5-difluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82557133) is 6-(3,5-difluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-(3,5-difluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-(3,5-difluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Nc1nc2n(n1)CC(c1cc(F)cc(F)c1)CC2.
What is the InChIKey of 6-(3,5-difluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is AHFSLSDTZAXHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c13-9-3-8(4-10(14)5-9)7-1-2-11-16-12(15)17-18(11)6-7/h3-5,7H,1-2,6H2,(H2,15,17).
What are the key properties of 6-(3,5-difluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-(3,5-difluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 250.25 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82557133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).