2,3-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carboxamide

C14H12F3N5O — CID 78854409

IUPAC2,3-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)Nc3n[nH]c(C(F)(F)F)n3)cccc2c1C
InChIInChI=1S/C14H12F3N5O/c1-6-7(2)18-10-8(6)4-3-5-9(10)11(23)19-13-20-12(21-22-13)14(15,16)17/h3-5,18H,1-2H3,(H2,19,20,21,22,23)
InChIKeyREOQYUAVCXKDDS-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.17
Rot. Bonds2

About 2,3-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carboxamide

2,3-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carboxamide (PubChem CID 78854409) has the molecular formula C14H12F3N5O and a molecular weight of 323.28 g/mol. Its IUPAC name is 2,3-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carboxamide
PubChem CID78854409
Molecular FormulaC14H12F3N5O
Molecular Weight323.28 g/mol
Exact Mass323.10
IUPAC Name2,3-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)Nc3n[nH]c(C(F)(F)F)n3)cccc2c1C
InChIInChI=1S/C14H12F3N5O/c1-6-7(2)18-10-8(6)4-3-5-9(10)11(23)19-13-20-12(21-22-13)14(15,16)17/h3-5,18H,1-2H3,(H2,19,20,21,22,23)
InChIKeyREOQYUAVCXKDDS-UHFFFAOYSA-N
XLogP3.17
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 36580295
2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide
CID 32609242
2-methyl-5-(methylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 134023104
2,5-dichloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide
CID 36579905
5-bromo-2-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 36580797
N-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 146022021
6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide
CID 134023049
(2S)-2-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 95218140
2-ethoxy-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide
CID 43061330
3-(dimethylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 2381572
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 111451352
2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide
CID 92604302

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carboxamide (CID 78854409) is 2,3-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carboxamide is Cc1[nH]c2c(C(=O)Nc3n[nH]c(C(F)(F)F)n3)cccc2c1C.
What is the InChIKey of 2,3-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carboxamide?
The InChIKey is REOQYUAVCXKDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O/c1-6-7(2)18-10-8(6)4-3-5-9(10)11(23)19-13-20-12(21-22-13)14(15,16)17/h3-5,18H,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 2,3-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carboxamide?
2,3-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carboxamide has a molecular weight of 323.28 g/mol, XLogP of 3.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-indole-7-carboxamide is sourced from PubChem (CID 78854409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).