N-(1-ethyl-3,3-difluoropiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C12H16F2N6 — CID 138009092

IUPACN-(1-ethyl-3,3-difluoropiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCCN1CCC(Nc2nccn3cnnc23)C(F)(F)C1
InChIInChI=1S/C12H16F2N6/c1-2-19-5-3-9(12(13,14)7-19)17-10-11-18-16-8-20(11)6-4-15-10/h4,6,8-9H,2-3,5,7H2,1H3,(H,15,17)
InChIKeyYDZLMVBEQHVOCT-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.27
Rot. Bonds3

About N-(1-ethyl-3,3-difluoropiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-(1-ethyl-3,3-difluoropiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 138009092) has the molecular formula C12H16F2N6 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(1-ethyl-3,3-difluoropiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(1-ethyl-3,3-difluoropiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID138009092
Molecular FormulaC12H16F2N6
Molecular Weight282.30 g/mol
Exact Mass282.14
IUPAC NameN-(1-ethyl-3,3-difluoropiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCCN1CCC(Nc2nccn3cnnc23)C(F)(F)C1
InChIInChI=1S/C12H16F2N6/c1-2-19-5-3-9(12(13,14)7-19)17-10-11-18-16-8-20(11)6-4-15-10/h4,6,8-9H,2-3,5,7H2,1H3,(H,15,17)
InChIKeyYDZLMVBEQHVOCT-UHFFFAOYSA-N
XLogP1.27
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,3-difluoropiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(1-ethyl-3,3-difluoropiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 138009092) is N-(1-ethyl-3,3-difluoropiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(1-ethyl-3,3-difluoropiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(1-ethyl-3,3-difluoropiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CCN1CCC(Nc2nccn3cnnc23)C(F)(F)C1.
What is the InChIKey of N-(1-ethyl-3,3-difluoropiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is YDZLMVBEQHVOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N6/c1-2-19-5-3-9(12(13,14)7-19)17-10-11-18-16-8-20(11)6-4-15-10/h4,6,8-9H,2-3,5,7H2,1H3,(H,15,17).
What are the key properties of N-(1-ethyl-3,3-difluoropiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(1-ethyl-3,3-difluoropiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 282.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,3-difluoropiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 138009092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).