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

C9H14F3N5O — CID 55133784

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C9H14F3N5O/c1-6(2)17(4-9(10,11)12)7(18)3-16-5-14-8(13)15-16/h5-6H,3-4H2,1-2H3,(H2,13,15)
InChIKeyPAWZUZKSPXBHLR-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.66
Rot. Bonds4

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

2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55133784) has the molecular formula C9H14F3N5O and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55133784
Molecular FormulaC9H14F3N5O
Molecular Weight265.24 g/mol
Exact Mass265.12
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C9H14F3N5O/c1-6(2)17(4-9(10,11)12)7(18)3-16-5-14-8(13)15-16/h5-6H,3-4H2,1-2H3,(H2,13,15)
InChIKeyPAWZUZKSPXBHLR-UHFFFAOYSA-N
XLogP0.66
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.66
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-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 55133784) is 2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is CC(C)N(CC(F)(F)F)C(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is PAWZUZKSPXBHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O/c1-6(2)17(4-9(10,11)12)7(18)3-16-5-14-8(13)15-16/h5-6H,3-4H2,1-2H3,(H2,13,15).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 265.24 g/mol, XLogP of 0.66, 4 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-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55133784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).