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

C23H32N8O2 — CID 139537034

IUPAC6-[2-(methoxymethoxy)-4-(triazol-2-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine
SMILESCOCOc1cc(-n2nccn2)ccc1-c1cnc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C23H32N8O2/c1-22(2)12-17(13-23(3,4)29-22)30(5)21-24-14-19(27-28-21)18-8-7-16(31-25-9-10-26-31)11-20(18)33-15-32-6/h7-11,14,17,29H,12-13,15H2,1-6H3
InChIKeyBTOYETHCVRFZPD-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.85
Rot. Bonds7

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

6-[2-(methoxymethoxy)-4-(triazol-2-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine (PubChem CID 139537034) has the molecular formula C23H32N8O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 6-[2-(methoxymethoxy)-4-(triazol-2-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-[2-(methoxymethoxy)-4-(triazol-2-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine
PubChem CID139537034
Molecular FormulaC23H32N8O2
Molecular Weight452.56 g/mol
Exact Mass452.26
IUPAC Name6-[2-(methoxymethoxy)-4-(triazol-2-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine
SMILESCOCOc1cc(-n2nccn2)ccc1-c1cnc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C23H32N8O2/c1-22(2)12-17(13-23(3,4)29-22)30(5)21-24-14-19(27-28-21)18-8-7-16(31-25-9-10-26-31)11-20(18)33-15-32-6/h7-11,14,17,29H,12-13,15H2,1-6H3
InChIKeyBTOYETHCVRFZPD-UHFFFAOYSA-N
XLogP2.85
TPSA103.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(methoxymethoxy)-4-(triazol-2-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine?
The IUPAC name of 6-[2-(methoxymethoxy)-4-(triazol-2-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine (CID 139537034) is 6-[2-(methoxymethoxy)-4-(triazol-2-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-[2-(methoxymethoxy)-4-(triazol-2-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for 6-[2-(methoxymethoxy)-4-(triazol-2-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine is COCOc1cc(-n2nccn2)ccc1-c1cnc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.
What is the InChIKey of 6-[2-(methoxymethoxy)-4-(triazol-2-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine?
The InChIKey is BTOYETHCVRFZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8O2/c1-22(2)12-17(13-23(3,4)29-22)30(5)21-24-14-19(27-28-21)18-8-7-16(31-25-9-10-26-31)11-20(18)33-15-32-6/h7-11,14,17,29H,12-13,15H2,1-6H3.
What are the key properties of 6-[2-(methoxymethoxy)-4-(triazol-2-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine?
6-[2-(methoxymethoxy)-4-(triazol-2-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine has a molecular weight of 452.56 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methoxymethoxy)-4-(triazol-2-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 139537034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).