5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine

C13H23F3N4 — CID 79964580

IUPAC5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1ncnn1CCC
InChIInChI=1S/C13H23F3N4/c1-3-7-17-11(5-6-13(14,15)16)9-12-18-10-19-20(12)8-4-2/h10-11,17H,3-9H2,1-2H3
InChIKeyYRXCKSLFWCYGSK-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.94
Rot. Bonds9

About 5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine

5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine (PubChem CID 79964580) has the molecular formula C13H23F3N4 and a molecular weight of 292.35 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
PubChem CID79964580
Molecular FormulaC13H23F3N4
Molecular Weight292.35 g/mol
Exact Mass292.19
IUPAC Name5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1ncnn1CCC
InChIInChI=1S/C13H23F3N4/c1-3-7-17-11(5-6-13(14,15)16)9-12-18-10-19-20(12)8-4-2/h10-11,17H,3-9H2,1-2H3
InChIKeyYRXCKSLFWCYGSK-UHFFFAOYSA-N
XLogP2.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 79954945
N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine
CID 105003076
4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 103149944
4-ethoxy-N-ethyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162685
N-methyl-1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215703
3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine
CID 79053430
3-ethoxy-3-methyl-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 116727209
4,4,4-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312099
3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 79616250
1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105002958
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propoxy-N-propylbutan-2-amine
CID 105160794
N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine
CID 79411663

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine (CID 79964580) is 5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine is CCCNC(CCC(F)(F)F)Cc1ncnn1CCC.
What is the InChIKey of 5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine?
The InChIKey is YRXCKSLFWCYGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4/c1-3-7-17-11(5-6-13(14,15)16)9-12-18-10-19-20(12)8-4-2/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine?
5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine has a molecular weight of 292.35 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine is sourced from PubChem (CID 79964580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).