3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine

C10H12F2N6 — CID 138684316

IUPAC3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine
SMILESNc1ncnn2c(C3CCCC(F)(F)C3)nnc12
InChIInChI=1S/C10H12F2N6/c11-10(12)3-1-2-6(4-10)8-16-17-9-7(13)14-5-15-18(8)9/h5-6H,1-4H2,(H2,13,14,15)
InChIKeyQLJDREQEPGFCEG-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.39
Rot. Bonds1

About 3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine

3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine (PubChem CID 138684316) has the molecular formula C10H12F2N6 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine.

Molecular Properties

Compound Name3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine
PubChem CID138684316
Molecular FormulaC10H12F2N6
Molecular Weight254.24 g/mol
Exact Mass254.11
IUPAC Name3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine
SMILESNc1ncnn2c(C3CCCC(F)(F)C3)nnc12
InChIInChI=1S/C10H12F2N6/c11-10(12)3-1-2-6(4-10)8-16-17-9-7(13)14-5-15-18(8)9/h5-6H,1-4H2,(H2,13,14,15)
InChIKeyQLJDREQEPGFCEG-UHFFFAOYSA-N
XLogP1.39
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine?
The IUPAC name of 3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine (CID 138684316) is 3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine.
What is the SMILES notation for 3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine?
The canonical SMILES for 3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine is Nc1ncnn2c(C3CCCC(F)(F)C3)nnc12.
What is the InChIKey of 3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine?
The InChIKey is QLJDREQEPGFCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N6/c11-10(12)3-1-2-6(4-10)8-16-17-9-7(13)14-5-15-18(8)9/h5-6H,1-4H2,(H2,13,14,15).
What are the key properties of 3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine?
3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine has a molecular weight of 254.24 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclohexyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine is sourced from PubChem (CID 138684316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).