2,2,2-trifluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

C7H9F3N4O — CID 63998853

IUPAC2,2,2-trifluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCn1cnnc1CCNC(=O)C(F)(F)F
InChIInChI=1S/C7H9F3N4O/c1-14-4-12-13-5(14)2-3-11-6(15)7(8,9)10/h4H,2-3H2,1H3,(H,11,15)
InChIKeyNZWROTQMPAJUJL-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.04
Rot. Bonds3

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

2,2,2-trifluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 63998853) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID63998853
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name2,2,2-trifluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCn1cnnc1CCNC(=O)C(F)(F)F
InChIInChI=1S/C7H9F3N4O/c1-14-4-12-13-5(14)2-3-11-6(15)7(8,9)10/h4H,2-3H2,1H3,(H,11,15)
InChIKeyNZWROTQMPAJUJL-UHFFFAOYSA-N
XLogP0.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2-(4H-1,2,4-triazol-3-yl)acetamide
CID 3236314
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47252639
4,4,4-trifluoro-N-[2-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]butanamide
CID 118778679
2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 47120536
1-[(4-Methyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 47165395
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 47228654
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55038292
2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62119005
2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 62733364
2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 62949787
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 63332288
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 63332289

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 63998853) is 2,2,2-trifluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is Cn1cnnc1CCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is NZWROTQMPAJUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-14-4-12-13-5(14)2-3-11-6(15)7(8,9)10/h4H,2-3H2,1H3,(H,11,15).
What are the key properties of 2,2,2-trifluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 222.17 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 63998853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).