N-[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine

C21H40N8O3 — CID 90968332

IUPACN-[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine
SMILESCC1(C)CC(Nc2nc(NO)nc(NC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O
InChIInChI=1S/C21H40N8O3/c1-18(2)9-13(10-19(3,4)28(18)31)22-15-24-16(26-17(25-15)27-30)23-14-11-20(5,6)29(32)21(7,8)12-14/h13-14,30-32H,9-12H2,1-8H3,(H3,22,23,24,25,26,27)
InChIKeyDEZWJIBKVPJVDK-UHFFFAOYSA-N
MW452.60 g/mol
LogP3.32
Rot. Bonds5

About N-[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine

N-[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine (PubChem CID 90968332) has the molecular formula C21H40N8O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine
PubChem CID90968332
Molecular FormulaC21H40N8O3
Molecular Weight452.60 g/mol
Exact Mass452.32
IUPAC NameN-[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine
SMILESCC1(C)CC(Nc2nc(NO)nc(NC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O
InChIInChI=1S/C21H40N8O3/c1-18(2)9-13(10-19(3,4)28(18)31)22-15-24-16(26-17(25-15)27-30)23-14-11-20(5,6)29(32)21(7,8)12-14/h13-14,30-32H,9-12H2,1-8H3,(H3,22,23,24,25,26,27)
InChIKeyDEZWJIBKVPJVDK-UHFFFAOYSA-N
XLogP3.32
TPSA141.93 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500452.60
LogP ≤ 53.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine?
The IUPAC name of N-[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine (CID 90968332) is N-[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine.
What is the SMILES notation for N-[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine?
The canonical SMILES for N-[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine is CC1(C)CC(Nc2nc(NO)nc(NC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O.
What is the InChIKey of N-[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine?
The InChIKey is DEZWJIBKVPJVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N8O3/c1-18(2)9-13(10-19(3,4)28(18)31)22-15-24-16(26-17(25-15)27-30)23-14-11-20(5,6)29(32)21(7,8)12-14/h13-14,30-32H,9-12H2,1-8H3,(H3,22,23,24,25,26,27).
What are the key properties of N-[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine?
N-[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine has a molecular weight of 452.60 g/mol, XLogP of 3.32, 5 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine is sourced from PubChem (CID 90968332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).