5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpentan-2-amine

C14H25F3N4 — CID 79954395

IUPAC5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1ncnn1CC(C)C
InChIInChI=1S/C14H25F3N4/c1-4-7-18-12(5-6-14(15,16)17)8-13-19-10-20-21(13)9-11(2)3/h10-12,18H,4-9H2,1-3H3
InChIKeyIXVJIPYSRUCRKB-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.19
Rot. Bonds9

About 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpentan-2-amine

5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpentan-2-amine (PubChem CID 79954395) has the molecular formula C14H25F3N4 and a molecular weight of 306.38 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpentan-2-amine
PubChem CID79954395
Molecular FormulaC14H25F3N4
Molecular Weight306.38 g/mol
Exact Mass306.20
IUPAC Name5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1ncnn1CC(C)C
InChIInChI=1S/C14H25F3N4/c1-4-7-18-12(5-6-14(15,16)17)8-13-19-10-20-21(13)9-11(2)3/h10-12,18H,4-9H2,1-3H3
InChIKeyIXVJIPYSRUCRKB-UHFFFAOYSA-N
XLogP3.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpentan-2-amine (CID 79954395) is 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpentan-2-amine is CCCNC(CCC(F)(F)F)Cc1ncnn1CC(C)C.
What is the InChIKey of 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpentan-2-amine?
The InChIKey is IXVJIPYSRUCRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4/c1-4-7-18-12(5-6-14(15,16)17)8-13-19-10-20-21(13)9-11(2)3/h10-12,18H,4-9H2,1-3H3.
What are the key properties of 5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpentan-2-amine?
5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpentan-2-amine has a molecular weight of 306.38 g/mol, XLogP of 3.19, 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-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpentan-2-amine is sourced from PubChem (CID 79954395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).