5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

C17H14F3N5O — CID 17015713

IUPAC5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)Nc3ccccc3C(F)(F)F)c2N)c1
InChIInChI=1S/C17H14F3N5O/c1-10-5-4-6-11(9-10)25-15(21)14(23-24-25)16(26)22-13-8-3-2-7-12(13)17(18,19)20/h2-9H,21H2,1H3,(H,22,26)
InChIKeyCGELQKGONBDOES-UHFFFAOYSA-N
MW361.33 g/mol
LogP3.43
Rot. Bonds3

About 5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 17015713) has the molecular formula C17H14F3N5O and a molecular weight of 361.33 g/mol. Its IUPAC name is 5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID17015713
Molecular FormulaC17H14F3N5O
Molecular Weight361.33 g/mol
Exact Mass361.12
IUPAC Name5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)Nc3ccccc3C(F)(F)F)c2N)c1
InChIInChI=1S/C17H14F3N5O/c1-10-5-4-6-11(9-10)25-15(21)14(23-24-25)16(26)22-13-8-3-2-7-12(13)17(18,19)20/h2-9H,21H2,1H3,(H,22,26)
InChIKeyCGELQKGONBDOES-UHFFFAOYSA-N
XLogP3.43
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 4546892
5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 27262034
5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 3238804
5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 17015703
methyl 5-amino-1-(3-methylphenyl)triazole-4-carboxylate
CID 4912897
5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 4102161
5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262208
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 56573213
ethyl 4-amino-3-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[5,1-c][1,2,4]triazine-8-carboxylate
CID 1496729
1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16652149
5-amino-N-(2,4-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262300
2-amino-5-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 62511382

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 17015713) is 5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is Cc1cccc(-n2nnc(C(=O)Nc3ccccc3C(F)(F)F)c2N)c1.
What is the InChIKey of 5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is CGELQKGONBDOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O/c1-10-5-4-6-11(9-10)25-15(21)14(23-24-25)16(26)22-13-8-3-2-7-12(13)17(18,19)20/h2-9H,21H2,1H3,(H,22,26).
What are the key properties of 5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 361.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 17015713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).