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

C10H16F3N5O — CID 61110767

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H16F3N5O/c1-7(2)3-17(5-10(11,12)13)8(19)4-18-6-15-9(14)16-18/h6-7H,3-5H2,1-2H3,(H2,14,16)
InChIKeyGEECLNNRKIRAOS-UHFFFAOYSA-N
MW279.27 g/mol
LogP0.91
Rot. Bonds5

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

2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61110767) has the molecular formula C10H16F3N5O and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61110767
Molecular FormulaC10H16F3N5O
Molecular Weight279.27 g/mol
Exact Mass279.13
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H16F3N5O/c1-7(2)3-17(5-10(11,12)13)8(19)4-18-6-15-9(14)16-18/h6-7H,3-5H2,1-2H3,(H2,14,16)
InChIKeyGEECLNNRKIRAOS-UHFFFAOYSA-N
XLogP0.91
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 50.91
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-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 61110767) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)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-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GEECLNNRKIRAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O/c1-7(2)3-17(5-10(11,12)13)8(19)4-18-6-15-9(14)16-18/h6-7H,3-5H2,1-2H3,(H2,14,16).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 279.27 g/mol, XLogP of 0.91, 5 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-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61110767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).