2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide

C19H14F3N5O — CID 135313320

IUPAC2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C19H14F3N5O/c1-27-17(23-10-24-27)18(28)25-12-7-6-11-8-16(26-15(11)9-12)13-4-2-3-5-14(13)19(20,21)22/h2-10,26H,1H3,(H,25,28)
InChIKeySIVLPTHXGYYTPR-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.23
Rot. Bonds3

About 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide

2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 135313320) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide
PubChem CID135313320
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C19H14F3N5O/c1-27-17(23-10-24-27)18(28)25-12-7-6-11-8-16(26-15(11)9-12)13-4-2-3-5-14(13)19(20,21)22/h2-10,26H,1H3,(H,25,28)
InChIKeySIVLPTHXGYYTPR-UHFFFAOYSA-N
XLogP4.23
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide (CID 135313320) is 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide is Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c2c1.
What is the InChIKey of 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is SIVLPTHXGYYTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c1-27-17(23-10-24-27)18(28)25-12-7-6-11-8-16(26-15(11)9-12)13-4-2-3-5-14(13)19(20,21)22/h2-10,26H,1H3,(H,25,28).
What are the key properties of 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide?
2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 385.35 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 135313320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).