3,3-dimethyl-1-(4-methyl-1,3,5-triazin-2-yl)-2H-indole

C14H16N4 — CID 166973242

IUPAC3,3-dimethyl-1-(4-methyl-1,3,5-triazin-2-yl)-2H-indole
SMILESCc1ncnc(N2CC(C)(C)c3ccccc32)n1
InChIInChI=1S/C14H16N4/c1-10-15-9-16-13(17-10)18-8-14(2,3)11-6-4-5-7-12(11)18/h4-7,9H,8H2,1-3H3
InChIKeyREWLPLHKTKDMDX-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.61
Rot. Bonds1

About 3,3-dimethyl-1-(4-methyl-1,3,5-triazin-2-yl)-2H-indole

3,3-dimethyl-1-(4-methyl-1,3,5-triazin-2-yl)-2H-indole (PubChem CID 166973242) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-methyl-1,3,5-triazin-2-yl)-2H-indole.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-methyl-1,3,5-triazin-2-yl)-2H-indole
PubChem CID166973242
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3,3-dimethyl-1-(4-methyl-1,3,5-triazin-2-yl)-2H-indole
SMILESCc1ncnc(N2CC(C)(C)c3ccccc32)n1
InChIInChI=1S/C14H16N4/c1-10-15-9-16-13(17-10)18-8-14(2,3)11-6-4-5-7-12(11)18/h4-7,9H,8H2,1-3H3
InChIKeyREWLPLHKTKDMDX-UHFFFAOYSA-N
XLogP2.61
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-methyl-1,3,5-triazin-2-yl)-2H-indole?
The IUPAC name of 3,3-dimethyl-1-(4-methyl-1,3,5-triazin-2-yl)-2H-indole (CID 166973242) is 3,3-dimethyl-1-(4-methyl-1,3,5-triazin-2-yl)-2H-indole.
What is the SMILES notation for 3,3-dimethyl-1-(4-methyl-1,3,5-triazin-2-yl)-2H-indole?
The canonical SMILES for 3,3-dimethyl-1-(4-methyl-1,3,5-triazin-2-yl)-2H-indole is Cc1ncnc(N2CC(C)(C)c3ccccc32)n1.
What is the InChIKey of 3,3-dimethyl-1-(4-methyl-1,3,5-triazin-2-yl)-2H-indole?
The InChIKey is REWLPLHKTKDMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-15-9-16-13(17-10)18-8-14(2,3)11-6-4-5-7-12(11)18/h4-7,9H,8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(4-methyl-1,3,5-triazin-2-yl)-2H-indole?
3,3-dimethyl-1-(4-methyl-1,3,5-triazin-2-yl)-2H-indole has a molecular weight of 240.31 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-methyl-1,3,5-triazin-2-yl)-2H-indole is sourced from PubChem (CID 166973242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).