1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine

C12H20N8O — CID 80925355

IUPAC1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)COc1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C12H20N8O/c1-12(2,19(3)4)7-21-11-16-9(18-13)15-10(17-11)20-6-5-14-8-20/h5-6,8H,7,13H2,1-4H3,(H,15,16,17,18)
InChIKeyVXQHDQYVJHKTMJ-UHFFFAOYSA-N
MW292.35 g/mol
LogP0.06
Rot. Bonds6

About 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine

1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine (PubChem CID 80925355) has the molecular formula C12H20N8O and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine
PubChem CID80925355
Molecular FormulaC12H20N8O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)COc1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C12H20N8O/c1-12(2,19(3)4)7-21-11-16-9(18-13)15-10(17-11)20-6-5-14-8-20/h5-6,8H,7,13H2,1-4H3,(H,15,16,17,18)
InChIKeyVXQHDQYVJHKTMJ-UHFFFAOYSA-N
XLogP0.06
TPSA107.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80906950
(4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine
CID 80906719
2-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83027475
[4-imidazol-1-yl-6-(4-methylpentan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine
CID 80913168
N'-ethyl-N-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-N'-methylethane-1,2-diamine
CID 80919698
4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943000
4-hydrazinyl-6-imidazol-1-yl-N,N-dipropyl-1,3,5-triazin-2-amine
CID 80931860
1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol
CID 80914978
4-hydrazinyl-6-imidazol-1-yl-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 80912687
4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80858138
[4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine
CID 80907359
N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80911395

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine (CID 80925355) is 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine is CN(C)C(C)(C)COc1nc(NN)nc(-n2ccnc2)n1.
What is the InChIKey of 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine?
The InChIKey is VXQHDQYVJHKTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8O/c1-12(2,19(3)4)7-21-11-16-9(18-13)15-10(17-11)20-6-5-14-8-20/h5-6,8H,7,13H2,1-4H3,(H,15,16,17,18).
What are the key properties of 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine?
1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine has a molecular weight of 292.35 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 80925355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).