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

C11H16F2N4 — CID 114226843

IUPAC3-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNC1CCc2nnc(C3CCC(F)(F)C3)n2C1
InChIInChI=1S/C11H16F2N4/c12-11(13)4-3-7(5-11)10-16-15-9-2-1-8(14)6-17(9)10/h7-8H,1-6,14H2
InChIKeyOJXVFNUXQLKUJC-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.45
Rot. Bonds1

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

3-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 114226843) has the molecular formula C11H16F2N4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID114226843
Molecular FormulaC11H16F2N4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNC1CCc2nnc(C3CCC(F)(F)C3)n2C1
InChIInChI=1S/C11H16F2N4/c12-11(13)4-3-7(5-11)10-16-15-9-2-1-8(14)6-17(9)10/h7-8H,1-6,14H2
InChIKeyOJXVFNUXQLKUJC-UHFFFAOYSA-N
XLogP1.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-cycloheptyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532693
3-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 117148294
3-(3,3-difluorocyclopentyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 114226592
(3-cycloheptyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol
CID 105391938
(3-cyclooctyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol
CID 105391896
[5-(3,3-difluorocyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 114226801
3-(cyclobutylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 103167701
(6S)-3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 124510269
4-(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-2-ol
CID 116532738
6-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 83964908
3-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532654
3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 83965873

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 114226843) is 3-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is NC1CCc2nnc(C3CCC(F)(F)C3)n2C1.
What is the InChIKey of 3-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is OJXVFNUXQLKUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4/c12-11(13)4-3-7(5-11)10-16-15-9-2-1-8(14)6-17(9)10/h7-8H,1-6,14H2.
What are the key properties of 3-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 242.27 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 114226843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).