8-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine

C18H14F3N5 — CID 11485102

IUPAC8-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESCc1ccc2[nH]c3nc(NCc4ccccc4C(F)(F)F)nnc3c2c1
InChIInChI=1S/C18H14F3N5/c1-10-6-7-14-12(8-10)15-16(23-14)24-17(26-25-15)22-9-11-4-2-3-5-13(11)18(19,20)21/h2-8H,9H2,1H3,(H2,22,23,24,26)
InChIKeyADJLUDALODHKCM-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.45
Rot. Bonds3

About 8-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine

8-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine (PubChem CID 11485102) has the molecular formula C18H14F3N5 and a molecular weight of 357.34 g/mol. Its IUPAC name is 8-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine.

Molecular Properties

Compound Name8-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
PubChem CID11485102
Molecular FormulaC18H14F3N5
Molecular Weight357.34 g/mol
Exact Mass357.12
IUPAC Name8-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESCc1ccc2[nH]c3nc(NCc4ccccc4C(F)(F)F)nnc3c2c1
InChIInChI=1S/C18H14F3N5/c1-10-6-7-14-12(8-10)15-16(23-14)24-17(26-25-15)22-9-11-4-2-3-5-13(11)18(19,20)21/h2-8H,9H2,1H3,(H2,22,23,24,26)
InChIKeyADJLUDALODHKCM-UHFFFAOYSA-N
XLogP4.45
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The IUPAC name of 8-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine (CID 11485102) is 8-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine.
What is the SMILES notation for 8-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The canonical SMILES for 8-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is Cc1ccc2[nH]c3nc(NCc4ccccc4C(F)(F)F)nnc3c2c1.
What is the InChIKey of 8-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The InChIKey is ADJLUDALODHKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5/c1-10-6-7-14-12(8-10)15-16(23-14)24-17(26-25-15)22-9-11-4-2-3-5-13(11)18(19,20)21/h2-8H,9H2,1H3,(H2,22,23,24,26).
What are the key properties of 8-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
8-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine has a molecular weight of 357.34 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is sourced from PubChem (CID 11485102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).