2-cyclohexyl-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C12H19FN4 — CID 83965564

IUPAC2-cyclohexyl-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESNC1CC(F)Cn2nc(C3CCCCC3)nc21
InChIInChI=1S/C12H19FN4/c13-9-6-10(14)12-15-11(16-17(12)7-9)8-4-2-1-3-5-8/h8-10H,1-7,14H2
InChIKeyOMICIXVUTQYMAV-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.07
Rot. Bonds1

About 2-cyclohexyl-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

2-cyclohexyl-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 83965564) has the molecular formula C12H19FN4 and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-cyclohexyl-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name2-cyclohexyl-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID83965564
Molecular FormulaC12H19FN4
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC Name2-cyclohexyl-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESNC1CC(F)Cn2nc(C3CCCCC3)nc21
InChIInChI=1S/C12H19FN4/c13-9-6-10(14)12-15-11(16-17(12)7-9)8-4-2-1-3-5-8/h8-10H,1-7,14H2
InChIKeyOMICIXVUTQYMAV-UHFFFAOYSA-N
XLogP2.07
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of 2-cyclohexyl-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 83965564) is 2-cyclohexyl-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 2-cyclohexyl-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for 2-cyclohexyl-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is NC1CC(F)Cn2nc(C3CCCCC3)nc21.
What is the InChIKey of 2-cyclohexyl-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is OMICIXVUTQYMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4/c13-9-6-10(14)12-15-11(16-17(12)7-9)8-4-2-1-3-5-8/h8-10H,1-7,14H2.
What are the key properties of 2-cyclohexyl-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
2-cyclohexyl-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 238.31 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 83965564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).