2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide

C10H15F3N6O2 — CID 61110235

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H15F3N6O2/c1-17(2)7(20)3-18(5-10(11,12)13)8(21)4-19-6-15-9(14)16-19/h6H,3-5H2,1-2H3,(H2,14,16)
InChIKeyXPDNREKRSBHSTC-UHFFFAOYSA-N
MW308.26 g/mol
LogP-0.66
Rot. Bonds5

About 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61110235) has the molecular formula C10H15F3N6O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61110235
Molecular FormulaC10H15F3N6O2
Molecular Weight308.26 g/mol
Exact Mass308.12
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H15F3N6O2/c1-17(2)7(20)3-18(5-10(11,12)13)8(21)4-19-6-15-9(14)16-19/h6H,3-5H2,1-2H3,(H2,14,16)
InChIKeyXPDNREKRSBHSTC-UHFFFAOYSA-N
XLogP-0.66
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 61110235) is 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide is CN(C)C(=O)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-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XPDNREKRSBHSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N6O2/c1-17(2)7(20)3-18(5-10(11,12)13)8(21)4-19-6-15-9(14)16-19/h6H,3-5H2,1-2H3,(H2,14,16).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 308.26 g/mol, XLogP of -0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61110235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).