4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine

C10H10F3N5O — CID 106393855

IUPAC4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESNc1cnc(C(F)(F)F)cc1NCCc1ncno1
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)8-3-7(6(14)4-16-8)15-2-1-9-17-5-18-19-9/h3-5H,1-2,14H2,(H,15,16)
InChIKeyVJCPIJITAYRVTP-UHFFFAOYSA-N
MW273.22 g/mol
LogP1.72
Rot. Bonds4

About 4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106393855) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is 4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106393855
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESNc1cnc(C(F)(F)F)cc1NCCc1ncno1
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)8-3-7(6(14)4-16-8)15-2-1-9-17-5-18-19-9/h3-5H,1-2,14H2,(H,15,16)
InChIKeyVJCPIJITAYRVTP-UHFFFAOYSA-N
XLogP1.72
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 106393641
4-bromo-5-fluoro-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
CID 106393728
4-bromo-5-fluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
CID 106393762
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103880354
4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747365
3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
CID 106393672
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747673
4-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106290011
3-methyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]isoquinoline-5,8-diamine
CID 106393818
2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol
CID 106308969
N-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide
CID 106333885
4-N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106182590

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106393855) is 4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine is Nc1cnc(C(F)(F)F)cc1NCCc1ncno1.
What is the InChIKey of 4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is VJCPIJITAYRVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c11-10(12,13)8-3-7(6(14)4-16-8)15-2-1-9-17-5-18-19-9/h3-5H,1-2,14H2,(H,15,16).
What are the key properties of 4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 273.22 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106393855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).