1-nitroso-4-(trideuteriomethyl)piperazine

C5H11N3O — CID 46782291

IUPAC1-nitroso-4-(trideuteriomethyl)piperazine
SMILES[2H]C([2H])([2H])N1CCN(N=O)CC1
InChIInChI=1S/C5H11N3O/c1-7-2-4-8(6-9)5-3-7/h2-5H2,1H3/i1D3
InChIKeyCEAIOKFZXJMDAS-FIBGUPNXSA-N
MW132.18 g/mol
LogP-0.08
Rot. Bonds2

About 1-nitroso-4-(trideuteriomethyl)piperazine

1-nitroso-4-(trideuteriomethyl)piperazine (PubChem CID 46782291) has the molecular formula C5H11N3O and a molecular weight of 132.18 g/mol. Its IUPAC name is 1-nitroso-4-(trideuteriomethyl)piperazine.

Molecular Properties

Compound Name1-nitroso-4-(trideuteriomethyl)piperazine
PubChem CID46782291
Molecular FormulaC5H11N3O
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name1-nitroso-4-(trideuteriomethyl)piperazine
SMILES[2H]C([2H])([2H])N1CCN(N=O)CC1
InChIInChI=1S/C5H11N3O/c1-7-2-4-8(6-9)5-3-7/h2-5H2,1H3/i1D3
InChIKeyCEAIOKFZXJMDAS-FIBGUPNXSA-N
XLogP-0.08
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 8819
CID 8819
CID 27826
CID 27826
CID 146842
CID 146842
CID 150692
CID 150692
CID 121487925
CID 121487925
CID 12554624
CID 12554624
CID 127543
CID 127543
CID 156620436
CID 156620436
CID 145743995
CID 145743995
CID 13708297
CID 13708297
CID 23461664
CID 23461664
CID 157740
CID 157740

Frequently Asked Questions

What is the IUPAC name of 1-nitroso-4-(trideuteriomethyl)piperazine?
The IUPAC name of 1-nitroso-4-(trideuteriomethyl)piperazine (CID 46782291) is 1-nitroso-4-(trideuteriomethyl)piperazine.
What is the SMILES notation for 1-nitroso-4-(trideuteriomethyl)piperazine?
The canonical SMILES for 1-nitroso-4-(trideuteriomethyl)piperazine is [2H]C([2H])([2H])N1CCN(N=O)CC1.
What is the InChIKey of 1-nitroso-4-(trideuteriomethyl)piperazine?
The InChIKey is CEAIOKFZXJMDAS-FIBGUPNXSA-N. The full InChI is InChI=1S/C5H11N3O/c1-7-2-4-8(6-9)5-3-7/h2-5H2,1H3/i1D3.
What are the key properties of 1-nitroso-4-(trideuteriomethyl)piperazine?
1-nitroso-4-(trideuteriomethyl)piperazine has a molecular weight of 132.18 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-4-(trideuteriomethyl)piperazine is sourced from PubChem (CID 46782291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).