6-[4-chloro-2-(methoxymethoxy)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine

C21H30ClN5O2 — CID 139537124

IUPAC6-[4-chloro-2-(methoxymethoxy)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine
SMILESCOCOc1cc(Cl)ccc1-c1cnc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C21H30ClN5O2/c1-20(2)10-15(11-21(3,4)26-20)27(5)19-23-12-17(24-25-19)16-8-7-14(22)9-18(16)29-13-28-6/h7-9,12,15,26H,10-11,13H2,1-6H3
InChIKeyGQJFNGNAMSKTAX-UHFFFAOYSA-N
MW419.96 g/mol
LogP3.92
Rot. Bonds6

About 6-[4-chloro-2-(methoxymethoxy)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine

6-[4-chloro-2-(methoxymethoxy)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine (PubChem CID 139537124) has the molecular formula C21H30ClN5O2 and a molecular weight of 419.96 g/mol. Its IUPAC name is 6-[4-chloro-2-(methoxymethoxy)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-[4-chloro-2-(methoxymethoxy)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine
PubChem CID139537124
Molecular FormulaC21H30ClN5O2
Molecular Weight419.96 g/mol
Exact Mass419.21
IUPAC Name6-[4-chloro-2-(methoxymethoxy)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine
SMILESCOCOc1cc(Cl)ccc1-c1cnc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C21H30ClN5O2/c1-20(2)10-15(11-21(3,4)26-20)27(5)19-23-12-17(24-25-19)16-8-7-14(22)9-18(16)29-13-28-6/h7-9,12,15,26H,10-11,13H2,1-6H3
InChIKeyGQJFNGNAMSKTAX-UHFFFAOYSA-N
XLogP3.92
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6-[4-chloro-2-(methoxymethoxy)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-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 6-[4-chloro-2-(methoxymethoxy)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine?
The IUPAC name of 6-[4-chloro-2-(methoxymethoxy)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine (CID 139537124) is 6-[4-chloro-2-(methoxymethoxy)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-[4-chloro-2-(methoxymethoxy)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for 6-[4-chloro-2-(methoxymethoxy)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine is COCOc1cc(Cl)ccc1-c1cnc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.
What is the InChIKey of 6-[4-chloro-2-(methoxymethoxy)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine?
The InChIKey is GQJFNGNAMSKTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN5O2/c1-20(2)10-15(11-21(3,4)26-20)27(5)19-23-12-17(24-25-19)16-8-7-14(22)9-18(16)29-13-28-6/h7-9,12,15,26H,10-11,13H2,1-6H3.
What are the key properties of 6-[4-chloro-2-(methoxymethoxy)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine?
6-[4-chloro-2-(methoxymethoxy)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine has a molecular weight of 419.96 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-2-(methoxymethoxy)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 139537124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).