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

C11H19F3N4O — CID 103215703

IUPACN-methyl-1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCCn1ncnc1CC(COCC(F)(F)F)NC
InChIInChI=1S/C11H19F3N4O/c1-3-4-18-10(16-8-17-18)5-9(15-2)6-19-7-11(12,13)14/h8-9,15H,3-7H2,1-2H3
InChIKeyYDBLZPSTBVGUKN-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.40
Rot. Bonds8

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

N-methyl-1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215703) has the molecular formula C11H19F3N4O and a molecular weight of 280.29 g/mol. Its IUPAC name is N-methyl-1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215703
Molecular FormulaC11H19F3N4O
Molecular Weight280.29 g/mol
Exact Mass280.15
IUPAC NameN-methyl-1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCCn1ncnc1CC(COCC(F)(F)F)NC
InChIInChI=1S/C11H19F3N4O/c1-3-4-18-10(16-8-17-18)5-9(15-2)6-19-7-11(12,13)14/h8-9,15H,3-7H2,1-2H3
InChIKeyYDBLZPSTBVGUKN-UHFFFAOYSA-N
XLogP1.40
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 79964580
1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103214219
4,4,4-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312099
1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105002958
N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215294
N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 105003061
[1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105319094
4-ethoxy-N-ethyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162685
1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002993
N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215840
4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 103149944

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of N-methyl-1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215703) is N-methyl-1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for N-methyl-1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for N-methyl-1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is CCCn1ncnc1CC(COCC(F)(F)F)NC.
What is the InChIKey of N-methyl-1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is YDBLZPSTBVGUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O/c1-3-4-18-10(16-8-17-18)5-9(15-2)6-19-7-11(12,13)14/h8-9,15H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
N-methyl-1-(2-propyl-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 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).