N-benzyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine

C12H16N6O — CID 80917380

IUPACN-benzyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C12H16N6O/c1-18(8-9-6-4-3-5-7-9)11-14-10(17-13)15-12(16-11)19-2/h3-7H,8,13H2,1-2H3,(H,14,15,16,17)
InChIKeyXOCXGMIMZLLUPJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.80
Rot. Bonds5

About N-benzyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine

N-benzyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80917380) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-benzyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID80917380
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-benzyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C12H16N6O/c1-18(8-9-6-4-3-5-7-9)11-14-10(17-13)15-12(16-11)19-2/h3-7H,8,13H2,1-2H3,(H,14,15,16,17)
InChIKeyXOCXGMIMZLLUPJ-UHFFFAOYSA-N
XLogP0.80
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-hydrazinyl-6-methoxy-N-methyl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 80906839
2-N-benzyl-6-hydrazinyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80917534
N-benzyl-4-hydrazinyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine
CID 80910625
2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol
CID 80902590
4-hydrazinyl-6-methoxy-N-methyl-N-phenyl-1,3,5-triazin-2-amine
CID 80927383
N-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80906186
4-hydrazinyl-N-methyl-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine
CID 80898353
N-butyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80917120
1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 80923595
N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80918150
N-benzyl-2-hydrazinyl-N-methylquinazolin-4-amine
CID 80909730
4-hydrazinyl-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80898355

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N-benzyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine (CID 80917380) is N-benzyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-benzyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-benzyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine is COc1nc(NN)nc(N(C)Cc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is XOCXGMIMZLLUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-18(8-9-6-4-3-5-7-9)11-14-10(17-13)15-12(16-11)19-2/h3-7H,8,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-benzyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
N-benzyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 260.30 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80917380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).