N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

C11H19F3N4O — CID 103215640

IUPACN-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCNC(COCC(F)(F)F)Cc1ncnn1C(C)C
InChIInChI=1S/C11H19F3N4O/c1-8(2)18-10(16-7-17-18)4-9(15-3)5-19-6-11(12,13)14/h7-9,15H,4-6H2,1-3H3
InChIKeyJZICSYDKOALSGT-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.57
Rot. Bonds7

About N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215640) has the molecular formula C11H19F3N4O and a molecular weight of 280.29 g/mol. Its IUPAC name is N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215640
Molecular FormulaC11H19F3N4O
Molecular Weight280.29 g/mol
Exact Mass280.15
IUPAC NameN-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCNC(COCC(F)(F)F)Cc1ncnn1C(C)C
InChIInChI=1S/C11H19F3N4O/c1-8(2)18-10(16-7-17-18)4-9(15-3)5-19-6-11(12,13)14/h7-9,15H,4-6H2,1-3H3
InChIKeyJZICSYDKOALSGT-UHFFFAOYSA-N
XLogP1.57
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215640) is N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is CNC(COCC(F)(F)F)Cc1ncnn1C(C)C.
What is the InChIKey of N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is JZICSYDKOALSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O/c1-8(2)18-10(16-7-17-18)4-9(15-3)5-19-6-11(12,13)14/h7-9,15H,4-6H2,1-3H3.
What are the key properties of N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 280.29 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).