2-[4-(aminomethyl)triazol-1-yl]-N-(5,5,5-trifluoropentyl)acetamide

C10H16F3N5O — CID 115519443

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(5,5,5-trifluoropentyl)acetamide
SMILESNCc1cn(CC(=O)NCCCCC(F)(F)F)nn1
InChIInChI=1S/C10H16F3N5O/c11-10(12,13)3-1-2-4-15-9(19)7-18-6-8(5-14)16-17-18/h6H,1-5,7,14H2,(H,15,19)
InChIKeyFAROAYYWYGBFGT-UHFFFAOYSA-N
MW279.27 g/mol
LogP0.59
Rot. Bonds7

About 2-[4-(aminomethyl)triazol-1-yl]-N-(5,5,5-trifluoropentyl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(5,5,5-trifluoropentyl)acetamide (PubChem CID 115519443) has the molecular formula C10H16F3N5O and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(5,5,5-trifluoropentyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(5,5,5-trifluoropentyl)acetamide
PubChem CID115519443
Molecular FormulaC10H16F3N5O
Molecular Weight279.27 g/mol
Exact Mass279.13
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(5,5,5-trifluoropentyl)acetamide
SMILESNCc1cn(CC(=O)NCCCCC(F)(F)F)nn1
InChIInChI=1S/C10H16F3N5O/c11-10(12,13)3-1-2-4-15-9(19)7-18-6-8(5-14)16-17-18/h6H,1-5,7,14H2,(H,15,19)
InChIKeyFAROAYYWYGBFGT-UHFFFAOYSA-N
XLogP0.59
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

AS-Mono-GK-DP
CID 25162991
2-(diethylamino)-N-[(1-heptyltriazol-4-yl)methyl]acetamide
CID 51050543
(4R)-4-{4-[(diethylamino)methyl]-1H-1,2,3-triazol-1-yl}-N-ethyl-L-prolinamide
CID 56715148
2-[4-(Trifluoromethyl)triazol-1-yl]acetamide
CID 88995626
2-[4-(aminomethyl)triazol-1-yl]-N-(3,3,3-trifluoropropyl)acetamide
CID 113314179
(Z)-2-amino-3-[amino-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]amino]-N-methylprop-2-enamide
CID 146527082
2-[4-(aminomethyl)triazol-1-yl]-N-(3,3,3-trifluoropropyl)propanamide
CID 169139545
3-[4-(aminomethyl)triazol-1-yl]-N-(3,3,3-trifluoropropyl)propanamide
CID 170144500
3-acetamidopropyl-dimethyl-[[1-[[(2S)-pyrrolidin-2-yl]methyl]triazol-4-yl]methyl]azanium
CID 134959534
1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
CID 55173047
N-[3-(4-ethynyltriazol-1-yl)propyl]-2,2,2-trifluoroacetamide
CID 56969094
2-[4-(aminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 62054131

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(5,5,5-trifluoropentyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(5,5,5-trifluoropentyl)acetamide (CID 115519443) is 2-[4-(aminomethyl)triazol-1-yl]-N-(5,5,5-trifluoropentyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(5,5,5-trifluoropentyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(5,5,5-trifluoropentyl)acetamide is NCc1cn(CC(=O)NCCCCC(F)(F)F)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(5,5,5-trifluoropentyl)acetamide?
The InChIKey is FAROAYYWYGBFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O/c11-10(12,13)3-1-2-4-15-9(19)7-18-6-8(5-14)16-17-18/h6H,1-5,7,14H2,(H,15,19).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(5,5,5-trifluoropentyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(5,5,5-trifluoropentyl)acetamide has a molecular weight of 279.27 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(5,5,5-trifluoropentyl)acetamide is sourced from PubChem (CID 115519443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).