4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-methylpiperazin-2-one

C11H19N7O2 — CID 80915244

IUPAC4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-methylpiperazin-2-one
SMILESCC(C)Oc1nc(NN)nc(N2CCN(C)C(=O)C2)n1
InChIInChI=1S/C11H19N7O2/c1-7(2)20-11-14-9(16-12)13-10(15-11)18-5-4-17(3)8(19)6-18/h7H,4-6,12H2,1-3H3,(H,13,14,15,16)
InChIKeyVOQQPZVZDOSOQE-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.78
Rot. Bonds4

About 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-methylpiperazin-2-one

4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-methylpiperazin-2-one (PubChem CID 80915244) has the molecular formula C11H19N7O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-methylpiperazin-2-one
PubChem CID80915244
Molecular FormulaC11H19N7O2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-methylpiperazin-2-one
SMILESCC(C)Oc1nc(NN)nc(N2CCN(C)C(=O)C2)n1
InChIInChI=1S/C11H19N7O2/c1-7(2)20-11-14-9(16-12)13-10(15-11)18-5-4-17(3)8(19)6-18/h7H,4-6,12H2,1-3H3,(H,13,14,15,16)
InChIKeyVOQQPZVZDOSOQE-UHFFFAOYSA-N
XLogP-0.78
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-methylpiperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-[4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol
CID 80898063
(4-piperazin-1-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80917805
[4-(4,4-dimethylpiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80919495
[4-(2,6-dimethylmorpholin-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80928474
4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one
CID 80905954
[4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80907116
4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methyl-1,4-diazepan-2-one
CID 102887838
4-(2-hydrazinylquinazolin-4-yl)-1-methylpiperazin-2-one
CID 80915413
4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one
CID 80931369
[4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 103491759
[4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80904737
4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80921274

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-methylpiperazin-2-one (CID 80915244) is 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-methylpiperazin-2-one is CC(C)Oc1nc(NN)nc(N2CCN(C)C(=O)C2)n1.
What is the InChIKey of 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-methylpiperazin-2-one?
The InChIKey is VOQQPZVZDOSOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7O2/c1-7(2)20-11-14-9(16-12)13-10(15-11)18-5-4-17(3)8(19)6-18/h7H,4-6,12H2,1-3H3,(H,13,14,15,16).
What are the key properties of 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-methylpiperazin-2-one?
4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-methylpiperazin-2-one has a molecular weight of 281.32 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-methylpiperazin-2-one is sourced from PubChem (CID 80915244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).