1-ethyl-4-nitrosopiperazine

C6H13N3O — CID 12554624

IUPAC1-ethyl-4-nitrosopiperazine
SMILESCCN1CCN(N=O)CC1
InChIInChI=1S/C6H13N3O/c1-2-8-3-5-9(7-10)6-4-8/h2-6H2,1H3
InChIKeyCWZUYOLYTOIBRY-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.31
Rot. Bonds2

About 1-ethyl-4-nitrosopiperazine

1-ethyl-4-nitrosopiperazine (PubChem CID 12554624) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-ethyl-4-nitrosopiperazine.

Molecular Properties

Compound Name1-ethyl-4-nitrosopiperazine
PubChem CID12554624
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name1-ethyl-4-nitrosopiperazine
SMILESCCN1CCN(N=O)CC1
InChIInChI=1S/C6H13N3O/c1-2-8-3-5-9(7-10)6-4-8/h2-6H2,1H3
InChIKeyCWZUYOLYTOIBRY-UHFFFAOYSA-N
XLogP0.31
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-nitrosopiperazine?
The IUPAC name of 1-ethyl-4-nitrosopiperazine (CID 12554624) is 1-ethyl-4-nitrosopiperazine.
What is the SMILES notation for 1-ethyl-4-nitrosopiperazine?
The canonical SMILES for 1-ethyl-4-nitrosopiperazine is CCN1CCN(N=O)CC1.
What is the InChIKey of 1-ethyl-4-nitrosopiperazine?
The InChIKey is CWZUYOLYTOIBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-2-8-3-5-9(7-10)6-4-8/h2-6H2,1H3.
What are the key properties of 1-ethyl-4-nitrosopiperazine?
1-ethyl-4-nitrosopiperazine has a molecular weight of 143.19 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-nitrosopiperazine is sourced from PubChem (CID 12554624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).