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

C12H21F3N4 — CID 79953443

IUPAC5,5,5-trifluoro-N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
SMILESCNC(CCC(F)(F)F)Cc1ncnn1CC(C)C
InChIInChI=1S/C12H21F3N4/c1-9(2)7-19-11(17-8-18-19)6-10(16-3)4-5-12(13,14)15/h8-10,16H,4-7H2,1-3H3
InChIKeyGHXWUAIDJWCRQC-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.41
Rot. Bonds7

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

5,5,5-trifluoro-N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine (PubChem CID 79953443) has the molecular formula C12H21F3N4 and a molecular weight of 278.32 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
PubChem CID79953443
Molecular FormulaC12H21F3N4
Molecular Weight278.32 g/mol
Exact Mass278.17
IUPAC Name5,5,5-trifluoro-N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
SMILESCNC(CCC(F)(F)F)Cc1ncnn1CC(C)C
InChIInChI=1S/C12H21F3N4/c1-9(2)7-19-11(17-8-18-19)6-10(16-3)4-5-12(13,14)15/h8-10,16H,4-7H2,1-3H3
InChIKeyGHXWUAIDJWCRQC-UHFFFAOYSA-N
XLogP2.41
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.41
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-N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine (CID 79953443) is 5,5,5-trifluoro-N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine is CNC(CCC(F)(F)F)Cc1ncnn1CC(C)C.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine?
The InChIKey is GHXWUAIDJWCRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4/c1-9(2)7-19-11(17-8-18-19)6-10(16-3)4-5-12(13,14)15/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 5,5,5-trifluoro-N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine?
5,5,5-trifluoro-N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine has a molecular weight of 278.32 g/mol, XLogP of 2.41, 7 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-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine is sourced from PubChem (CID 79953443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).