N-tert-butyl-4-methyl-6-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1,3,5-triazin-2-amine

C18H20N8S — CID 46906910

IUPACN-tert-butyl-4-methyl-6-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCc1nc(NC(C)(C)C)nc(Sc2nnc3c4ccccc4n(C)c3n2)n1
InChIInChI=1S/C18H20N8S/c1-10-19-15(23-18(2,3)4)22-16(20-10)27-17-21-14-13(24-25-17)11-8-6-7-9-12(11)26(14)5/h6-9H,1-5H3,(H,19,20,22,23)
InChIKeyQAANJYAJUJLWLV-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.37
Rot. Bonds3

About N-tert-butyl-4-methyl-6-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1,3,5-triazin-2-amine

N-tert-butyl-4-methyl-6-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1,3,5-triazin-2-amine (PubChem CID 46906910) has the molecular formula C18H20N8S and a molecular weight of 380.48 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-6-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-6-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
PubChem CID46906910
Molecular FormulaC18H20N8S
Molecular Weight380.48 g/mol
Exact Mass380.15
IUPAC NameN-tert-butyl-4-methyl-6-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCc1nc(NC(C)(C)C)nc(Sc2nnc3c4ccccc4n(C)c3n2)n1
InChIInChI=1S/C18H20N8S/c1-10-19-15(23-18(2,3)4)22-16(20-10)27-17-21-14-13(24-25-17)11-8-6-7-9-12(11)26(14)5/h6-9H,1-5H3,(H,19,20,22,23)
InChIKeyQAANJYAJUJLWLV-UHFFFAOYSA-N
XLogP3.37
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-tert-butyl-4-methyl-6-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-6-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of N-tert-butyl-4-methyl-6-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1,3,5-triazin-2-amine (CID 46906910) is N-tert-butyl-4-methyl-6-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-tert-butyl-4-methyl-6-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-tert-butyl-4-methyl-6-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1,3,5-triazin-2-amine is Cc1nc(NC(C)(C)C)nc(Sc2nnc3c4ccccc4n(C)c3n2)n1.
What is the InChIKey of N-tert-butyl-4-methyl-6-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is QAANJYAJUJLWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8S/c1-10-19-15(23-18(2,3)4)22-16(20-10)27-17-21-14-13(24-25-17)11-8-6-7-9-12(11)26(14)5/h6-9H,1-5H3,(H,19,20,22,23).
What are the key properties of N-tert-butyl-4-methyl-6-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1,3,5-triazin-2-amine?
N-tert-butyl-4-methyl-6-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 380.48 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-6-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 46906910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).