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

C6H7F3N4O — CID 62733364

IUPAC2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCn1cnnc1CNC(=O)C(F)(F)F
InChIInChI=1S/C6H7F3N4O/c1-13-3-11-12-4(13)2-10-5(14)6(7,8)9/h3H,2H2,1H3,(H,10,14)
InChIKeyFEIMVOOEJNKOCE-UHFFFAOYSA-N
MW208.14 g/mol
LogP-0.01
Rot. Bonds2

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

2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 62733364) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID62733364
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC Name2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCn1cnnc1CNC(=O)C(F)(F)F
InChIInChI=1S/C6H7F3N4O/c1-13-3-11-12-4(13)2-10-5(14)6(7,8)9/h3H,2H2,1H3,(H,10,14)
InChIKeyFEIMVOOEJNKOCE-UHFFFAOYSA-N
XLogP-0.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(Trifluoromethyl)-1,2,4-triazol-4-yl]acetamide
CID 54067350
4-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carboxamide
CID 67183316
N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 67183318
N-(2-fluoroethyl)-2-methyl-1,2,4-triazole-3-carboxamide
CID 88396662
2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
CID 91600834
N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanamine
CID 123415296
4-(2,2,3,3,3-Pentafluoropropyl)-1,2,4-triazole-3-carboxamide
CID 169094234
2-(2,2-Difluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175864494
2-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175864509
2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 29867665
2,2,2-trifluoroethyl N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]carbamate
CID 47002368

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide (CID 62733364) is 2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide is Cn1cnnc1CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is FEIMVOOEJNKOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c1-13-3-11-12-4(13)2-10-5(14)6(7,8)9/h3H,2H2,1H3,(H,10,14).
What are the key properties of 2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 208.14 g/mol, XLogP of -0.01, 2 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-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 62733364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).