3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C11H13F2N5 — CID 134299834

IUPAC3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCCC(F)(F)C3)nnc12
InChIInChI=1S/C11H13F2N5/c12-11(13)3-1-2-7(6-11)9-16-17-10-8(14)15-4-5-18(9)10/h4-5,7H,1-3,6H2,(H2,14,15)
InChIKeyNVRHHQVSNDPLCB-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.00
Rot. Bonds1

About 3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 134299834) has the molecular formula C11H13F2N5 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID134299834
Molecular FormulaC11H13F2N5
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCCC(F)(F)C3)nnc12
InChIInChI=1S/C11H13F2N5/c12-11(13)3-1-2-7(6-11)9-16-17-10-8(14)15-4-5-18(9)10/h4-5,7H,1-3,6H2,(H2,14,15)
InChIKeyNVRHHQVSNDPLCB-UHFFFAOYSA-N
XLogP2.00
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 134299834) is 3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Nc1nccn2c(C3CCCC(F)(F)C3)nnc12.
What is the InChIKey of 3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is NVRHHQVSNDPLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5/c12-11(13)3-1-2-7(6-11)9-16-17-10-8(14)15-4-5-18(9)10/h4-5,7H,1-3,6H2,(H2,14,15).
What are the key properties of 3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 253.26 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 134299834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).