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

C9H12F3N5O — CID 55006783

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1ncn(CC(=O)N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C9H12F3N5O/c10-9(11,12)4-17(6-1-2-6)7(18)3-16-5-14-8(13)15-16/h5-6H,1-4H2,(H2,13,15)
InChIKeyUIQRAQFOOJDDRU-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.41
Rot. Bonds4

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

2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55006783) has the molecular formula C9H12F3N5O and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55006783
Molecular FormulaC9H12F3N5O
Molecular Weight263.22 g/mol
Exact Mass263.10
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1ncn(CC(=O)N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C9H12F3N5O/c10-9(11,12)4-17(6-1-2-6)7(18)3-16-5-14-8(13)15-16/h5-6H,1-4H2,(H2,13,15)
InChIKeyUIQRAQFOOJDDRU-UHFFFAOYSA-N
XLogP0.41
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.41
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-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide (CID 55006783) is 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide is Nc1ncn(CC(=O)N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UIQRAQFOOJDDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5O/c10-9(11,12)4-17(6-1-2-6)7(18)3-16-5-14-8(13)15-16/h5-6H,1-4H2,(H2,13,15).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 263.22 g/mol, XLogP of 0.41, 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-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55006783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).