N-(2-methyl-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C7H10F3N5O — CID 80717202

IUPACN-(2-methyl-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCn1ncnc1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C7H10F3N5O/c1-15-6(12-4-13-15)14-5(16)2-11-3-7(8,9)10/h4,11H,2-3H2,1H3,(H,12,13,14,16)
InChIKeyFDDFKCQEFUENIM-UHFFFAOYSA-N
MW237.18 g/mol
LogP-0.09
Rot. Bonds4

About N-(2-methyl-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-methyl-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 80717202) has the molecular formula C7H10F3N5O and a molecular weight of 237.18 g/mol. Its IUPAC name is N-(2-methyl-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID80717202
Molecular FormulaC7H10F3N5O
Molecular Weight237.18 g/mol
Exact Mass237.08
IUPAC NameN-(2-methyl-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCn1ncnc1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C7H10F3N5O/c1-15-6(12-4-13-15)14-5(16)2-11-3-7(8,9)10/h4,11H,2-3H2,1H3,(H,12,13,14,16)
InChIKeyFDDFKCQEFUENIM-UHFFFAOYSA-N
XLogP-0.09
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-amino-1H-1,2,4-triazol-1-yl)-N-methylacetamide
CID 54595598
N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
CID 156532270
N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide
CID 167239470
2,2,2-trifluoro-N-[N-methyl-C-(1,2,4-triazol-1-yl)carbonimidoyl]acetamide
CID 178834782
ethane;2,2,2-trifluoro-N-[N-methyl-C-(1,2,4-triazol-1-yl)carbonimidoyl]acetamide
CID 178834966
2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 53504985
2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 55006974
2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 55133784
2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60718244
2-(3-amino-1H-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 61015785
2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61016208
2-(3-amino-1,2,4-triazol-1-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61105293

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-methyl-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 80717202) is N-(2-methyl-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-methyl-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-methyl-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is Cn1ncnc1NC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(2-methyl-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is FDDFKCQEFUENIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N5O/c1-15-6(12-4-13-15)14-5(16)2-11-3-7(8,9)10/h4,11H,2-3H2,1H3,(H,12,13,14,16).
What are the key properties of N-(2-methyl-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-methyl-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 237.18 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 80717202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).