2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C11H10F3N5O — CID 112520689

IUPAC2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESNc1cnn(CC(=O)Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H10F3N5O/c12-11(13,14)7-3-1-2-4-8(7)17-10(20)6-19-16-5-9(15)18-19/h1-5H,6H2,(H2,15,18)(H,17,20)
InChIKeyAMCRMUZXBNHVIE-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.52
Rot. Bonds3

About 2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 112520689) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID112520689
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC Name2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESNc1cnn(CC(=O)Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H10F3N5O/c12-11(13,14)7-3-1-2-4-8(7)17-10(20)6-19-16-5-9(15)18-19/h1-5H,6H2,(H2,15,18)(H,17,20)
InChIKeyAMCRMUZXBNHVIE-UHFFFAOYSA-N
XLogP1.52
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16508183
2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22693387
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide
CID 112528014
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1169430
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 5236251
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3685474
4-oxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]phthalazine-1-carboxylate
CID 2379329
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 19517987
2-(3-nitro-1,2,4-triazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 749084
3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
CID 57365498
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27039812

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 112520689) is 2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is Nc1cnn(CC(=O)Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AMCRMUZXBNHVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c12-11(13,14)7-3-1-2-4-8(7)17-10(20)6-19-16-5-9(15)18-19/h1-5H,6H2,(H2,15,18)(H,17,20).
What are the key properties of 2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 285.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 112520689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).