N'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N'-methyloctanehydrazide

C20H35N7O3 — CID 5297351

IUPACN'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N'-methyloctanehydrazide
SMILESCCCCCCCC(=O)NN(C)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H35N7O3/c1-3-4-5-6-7-8-17(28)24-25(2)18-21-19(26-9-13-29-14-10-26)23-20(22-18)27-11-15-30-16-12-27/h3-16H2,1-2H3,(H,24,28)
InChIKeyGLVUPSRIBDSRAN-UHFFFAOYSA-N
MW421.55 g/mol
LogP1.37
Rot. Bonds10

About N'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N'-methyloctanehydrazide

N'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N'-methyloctanehydrazide (PubChem CID 5297351) has the molecular formula C20H35N7O3 and a molecular weight of 421.55 g/mol. Its IUPAC name is N'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N'-methyloctanehydrazide.

Molecular Properties

Compound NameN'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N'-methyloctanehydrazide
PubChem CID5297351
Molecular FormulaC20H35N7O3
Molecular Weight421.55 g/mol
Exact Mass421.28
IUPAC NameN'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N'-methyloctanehydrazide
SMILESCCCCCCCC(=O)NN(C)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H35N7O3/c1-3-4-5-6-7-8-17(28)24-25(2)18-21-19(26-9-13-29-14-10-26)23-20(22-18)27-11-15-30-16-12-27/h3-16H2,1-2H3,(H,24,28)
InChIKeyGLVUPSRIBDSRAN-UHFFFAOYSA-N
XLogP1.37
TPSA95.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-N-hexyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 2172668
2-N,4-N-dimethyl-6-morpholin-4-yl-4-N-pentyl-1,3,5-triazine-2,4-diamine
CID 80773312
N-[6-amino-2-(4,6-dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]octanamide
CID 122526711
N-butyl-4-hydrazinyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80916546
4-N-butyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80753907
N-(2,6-dimethyl-4-morpholin-4-ylphenyl)octanamide
CID 11508231
2-N,4-N-dimethyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773892
pentyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate
CID 154138667
N'-(2-hydroxyethyl)-N'-methyldodecanehydrazide
CID 175333328
4-N-methyl-6-morpholin-4-yl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80772544
N-[(2S)-2-[[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87263949
N-hydroxy-N-[(2R)-2-[[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide
CID 87264672

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N'-methyloctanehydrazide?
The IUPAC name of N'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N'-methyloctanehydrazide (CID 5297351) is N'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N'-methyloctanehydrazide.
What is the SMILES notation for N'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N'-methyloctanehydrazide?
The canonical SMILES for N'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N'-methyloctanehydrazide is CCCCCCCC(=O)NN(C)c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N'-methyloctanehydrazide?
The InChIKey is GLVUPSRIBDSRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N7O3/c1-3-4-5-6-7-8-17(28)24-25(2)18-21-19(26-9-13-29-14-10-26)23-20(22-18)27-11-15-30-16-12-27/h3-16H2,1-2H3,(H,24,28).
What are the key properties of N'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N'-methyloctanehydrazide?
N'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N'-methyloctanehydrazide has a molecular weight of 421.55 g/mol, XLogP of 1.37, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N'-methyloctanehydrazide is sourced from PubChem (CID 5297351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).