1-methyl-4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]indole

C19H15F3N4 — CID 11703148

IUPAC1-methyl-4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]indole
SMILESCn1c(-c2ccccc2C(F)(F)F)nnc1-c1cccc2c1ccn2C
InChIInChI=1S/C19H15F3N4/c1-25-11-10-12-13(7-5-9-16(12)25)17-23-24-18(26(17)2)14-6-3-4-8-15(14)19(20,21)22/h3-11H,1-2H3
InChIKeyNTNLPJLHGXIPQN-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.66
Rot. Bonds2

About 1-methyl-4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]indole

1-methyl-4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]indole (PubChem CID 11703148) has the molecular formula C19H15F3N4 and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-methyl-4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]indole.

Molecular Properties

Compound Name1-methyl-4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]indole
PubChem CID11703148
Molecular FormulaC19H15F3N4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name1-methyl-4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]indole
SMILESCn1c(-c2ccccc2C(F)(F)F)nnc1-c1cccc2c1ccn2C
InChIInChI=1S/C19H15F3N4/c1-25-11-10-12-13(7-5-9-16(12)25)17-23-24-18(26(17)2)14-6-3-4-8-15(14)19(20,21)22/h3-11H,1-2H3
InChIKeyNTNLPJLHGXIPQN-UHFFFAOYSA-N
XLogP4.66
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]indole?
The IUPAC name of 1-methyl-4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]indole (CID 11703148) is 1-methyl-4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]indole.
What is the SMILES notation for 1-methyl-4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]indole?
The canonical SMILES for 1-methyl-4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]indole is Cn1c(-c2ccccc2C(F)(F)F)nnc1-c1cccc2c1ccn2C.
What is the InChIKey of 1-methyl-4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]indole?
The InChIKey is NTNLPJLHGXIPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4/c1-25-11-10-12-13(7-5-9-16(12)25)17-23-24-18(26(17)2)14-6-3-4-8-15(14)19(20,21)22/h3-11H,1-2H3.
What are the key properties of 1-methyl-4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]indole?
1-methyl-4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]indole has a molecular weight of 356.35 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]indole is sourced from PubChem (CID 11703148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).