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

C9H14F3N5O — CID 55038292

IUPAC2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(NCC(=O)NCC(F)(F)F)c1nncn1C
InChIInChI=1S/C9H14F3N5O/c1-6(8-16-15-5-17(8)2)13-3-7(18)14-4-9(10,11)12/h5-6,13H,3-4H2,1-2H3,(H,14,18)
InChIKeyIKCYRFRJKVQCBQ-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.14
Rot. Bonds5

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

2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55038292) has the molecular formula C9H14F3N5O and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55038292
Molecular FormulaC9H14F3N5O
Molecular Weight265.24 g/mol
Exact Mass265.12
IUPAC Name2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(NCC(=O)NCC(F)(F)F)c1nncn1C
InChIInChI=1S/C9H14F3N5O/c1-6(8-16-15-5-17(8)2)13-3-7(18)14-4-9(10,11)12/h5-6,13H,3-4H2,1-2H3,(H,14,18)
InChIKeyIKCYRFRJKVQCBQ-UHFFFAOYSA-N
XLogP0.14
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47252639
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 71974203
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 91762528
methyl (1-methyl-2-oxo-2-{[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]amino}ethyl)carbamate
CID 91778668
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 91792781
4,4,4-trifluoro-N-[2-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]butanamide
CID 118778679
N~2~-acetyl-N~1~-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)propyl]glycinamide
CID 118796223
(2S)-N-cyclopentyl-2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]propanamide
CID 124756487
2-[cyclopentyl(methyl)amino]-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 129608788
N-[(1S,2S)-2-fluorocyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide
CID 164634953
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 164637518
(2S)-2-(5-tert-butyltetrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
CID 164639969

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 55038292) is 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is CC(NCC(=O)NCC(F)(F)F)c1nncn1C.
What is the InChIKey of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IKCYRFRJKVQCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O/c1-6(8-16-15-5-17(8)2)13-3-7(18)14-4-9(10,11)12/h5-6,13H,3-4H2,1-2H3,(H,14,18).
What are the key properties of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 265.24 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55038292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).