2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C9H14F3N5O — CID 106221773

IUPAC2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCCc1cn(CC(=O)NCC(F)(F)F)nn1
InChIInChI=1S/C9H14F3N5O/c10-9(11,12)6-14-8(18)5-17-4-7(15-16-17)2-1-3-13/h4H,1-3,5-6,13H2,(H,14,18)
InChIKeyOKFAAFGNLKVZGT-UHFFFAOYSA-N
MW265.24 g/mol
LogP-0.15
Rot. Bonds6

About 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 106221773) has the molecular formula C9H14F3N5O and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID106221773
Molecular FormulaC9H14F3N5O
Molecular Weight265.24 g/mol
Exact Mass265.12
IUPAC Name2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCCc1cn(CC(=O)NCC(F)(F)F)nn1
InChIInChI=1S/C9H14F3N5O/c10-9(11,12)6-14-8(18)5-17-4-7(15-16-17)2-1-3-13/h4H,1-3,5-6,13H2,(H,14,18)
InChIKeyOKFAAFGNLKVZGT-UHFFFAOYSA-N
XLogP-0.15
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

YU-Mono-GK-DP
CID 16129555
YU-Mono-GR-DP
CID 16129540
2-(4-Pentyltriazol-1-yl)acetamide
CID 70692869
2-[3-[1-[(1S)-2-keto-1-methyl-2-piperazino-ethyl]triazol-4-yl]propyl]guanidine;hydrochloride
CID 16066497
2-[3-[1-(2-Oxo-2-piperazin-1-ylethyl)triazol-4-yl]propyl]guanidine
CID 16066577
2-[4-(4-Aminobutyl)triazol-1-yl]-1-piperazin-1-ylethanone
CID 16066622
2-(4-Cyclopropyltriazol-1-yl)-1-(3,5-dimethylpiperazin-1-yl)ethanone
CID 121575885
1-[4-(3-Fluoropropyl)triazol-1-yl]propan-2-one
CID 59247933
2-[4-(3-Fluoropropyl)triazol-1-yl]acetamide
CID 70304467
N-[2-(diethylamino)ethyl]-2-[4-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)triazol-1-yl]acetamide
CID 89998451
2-[4-(aminomethyl)triazol-1-yl]-N-(3,3,3-trifluoropropyl)acetamide
CID 113314179
N-butyl-3-[1-(2-fluoroethyl)triazol-4-yl]propanamide
CID 126590542

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 106221773) is 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is NCCCc1cn(CC(=O)NCC(F)(F)F)nn1.
What is the InChIKey of 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OKFAAFGNLKVZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O/c10-9(11,12)6-14-8(18)5-17-4-7(15-16-17)2-1-3-13/h4H,1-3,5-6,13H2,(H,14,18).
What are the key properties of 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 265.24 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 106221773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).