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

C6H8F3N5O — CID 61015785

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1ncn(CC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C6H8F3N5O/c7-6(8,9)2-11-4(15)1-14-3-12-5(10)13-14/h3H,1-2H2,(H2,10,13)(H,11,15)
InChIKeySVPJQNKNBSMUII-UHFFFAOYSA-N
MW223.16 g/mol
LogP-0.46
Rot. Bonds3

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

2-(3-amino-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61015785) has the molecular formula C6H8F3N5O and a molecular weight of 223.16 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61015785
Molecular FormulaC6H8F3N5O
Molecular Weight223.16 g/mol
Exact Mass223.07
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1ncn(CC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C6H8F3N5O/c7-6(8,9)2-11-4(15)1-14-3-12-5(10)13-14/h3H,1-2H2,(H2,10,13)(H,11,15)
InChIKeySVPJQNKNBSMUII-UHFFFAOYSA-N
XLogP-0.46
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
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-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 61015785) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is Nc1ncn(CC(=O)NCC(F)(F)F)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SVPJQNKNBSMUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N5O/c7-6(8,9)2-11-4(15)1-14-3-12-5(10)13-14/h3H,1-2H2,(H2,10,13)(H,11,15).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 223.16 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 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-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61015785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).