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

C7H10F3N5O — CID 61016208

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C7H10F3N5O/c1-14(3-7(8,9)10)5(16)2-15-4-12-6(11)13-15/h4H,2-3H2,1H3,(H2,11,13)
InChIKeyDCDYETWAPAEPLG-UHFFFAOYSA-N
MW237.18 g/mol
LogP-0.12
Rot. Bonds3

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

2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61016208) has the molecular formula C7H10F3N5O and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61016208
Molecular FormulaC7H10F3N5O
Molecular Weight237.18 g/mol
Exact Mass237.08
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C7H10F3N5O/c1-14(3-7(8,9)10)5(16)2-15-4-12-6(11)13-15/h4H,2-3H2,1H3,(H2,11,13)
InChIKeyDCDYETWAPAEPLG-UHFFFAOYSA-N
XLogP-0.12
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 61016208) is 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DCDYETWAPAEPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N5O/c1-14(3-7(8,9)10)5(16)2-15-4-12-6(11)13-15/h4H,2-3H2,1H3,(H2,11,13).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 237.18 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61016208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).