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

C10H17F3N4O — CID 103215637

IUPAC1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCC(C)n1ncnc1CC(N)COCC(F)(F)F
InChIInChI=1S/C10H17F3N4O/c1-7(2)17-9(15-6-16-17)3-8(14)4-18-5-10(11,12)13/h6-8H,3-5,14H2,1-2H3
InChIKeyLFCAXADZXAYWFI-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.31
Rot. Bonds6

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

1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215637) has the molecular formula C10H17F3N4O and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215637
Molecular FormulaC10H17F3N4O
Molecular Weight266.27 g/mol
Exact Mass266.14
IUPAC Name1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCC(C)n1ncnc1CC(N)COCC(F)(F)F
InChIInChI=1S/C10H17F3N4O/c1-7(2)17-9(15-6-16-17)3-8(14)4-18-5-10(11,12)13/h6-8H,3-5,14H2,1-2H3
InChIKeyLFCAXADZXAYWFI-UHFFFAOYSA-N
XLogP1.31
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215637) is 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 1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is CC(C)n1ncnc1CC(N)COCC(F)(F)F.
What is the InChIKey of 1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is LFCAXADZXAYWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O/c1-7(2)17-9(15-6-16-17)3-8(14)4-18-5-10(11,12)13/h6-8H,3-5,14H2,1-2H3.
What are the key properties of 1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 266.27 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).