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

C15H14F3N5O — CID 136570956

IUPAC2-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NC(C)c1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C15H14F3N5O/c1-7-11(9-5-3-4-6-10(9)19-7)13(24)20-8(2)12-21-14(23-22-12)15(16,17)18/h3-6,8,19H,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyOXJJCBVKJHCJBH-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.10
Rot. Bonds3

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

2-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-indole-3-carboxamide (PubChem CID 136570956) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-indole-3-carboxamide
PubChem CID136570956
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC Name2-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NC(C)c1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C15H14F3N5O/c1-7-11(9-5-3-4-6-10(9)19-7)13(24)20-8(2)12-21-14(23-22-12)15(16,17)18/h3-6,8,19H,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyOXJJCBVKJHCJBH-UHFFFAOYSA-N
XLogP3.10
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide
CID 154846284
1,3-dimethyl-2-oxo-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazole-4-carboxamide
CID 154846283
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid
CID 82845531
3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one
CID 103309361
2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide
CID 24676897
(2S)-2-chloro-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 2405282
N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide
CID 110001950
3-methyl-4-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid
CID 81063960
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 71879454
(2R)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 9369046
2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid
CID 63930965

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-indole-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-indole-3-carboxamide (CID 136570956) is 2-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-indole-3-carboxamide is Cc1[nH]c2ccccc2c1C(=O)NC(C)c1nc(C(F)(F)F)n[nH]1.
What is the InChIKey of 2-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-indole-3-carboxamide?
The InChIKey is OXJJCBVKJHCJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c1-7-11(9-5-3-4-6-10(9)19-7)13(24)20-8(2)12-21-14(23-22-12)15(16,17)18/h3-6,8,19H,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-indole-3-carboxamide?
2-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-indole-3-carboxamide has a molecular weight of 337.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 136570956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).