(NZ)-N-[(3Z)-3-hydroxyimino-1,4-dimethylpiperazin-2-ylidene]hydroxylamine

C6H12N4O2 — CID 136628891

IUPAC(NZ)-N-[(3Z)-3-hydroxyimino-1,4-dimethylpiperazin-2-ylidene]hydroxylamine
SMILESCN1CCN(C)C(=N\O)/C1=N/O
InChIInChI=1S/C6H12N4O2/c1-9-3-4-10(2)6(8-12)5(9)7-11/h11-12H,3-4H2,1-2H3/b7-5-,8-6-
InChIKeyIJVDCSQCEFBYMF-SFECMWDFSA-N
MW172.19 g/mol
LogP-0.56
Rot. Bonds

About (NZ)-N-[(3Z)-3-hydroxyimino-1,4-dimethylpiperazin-2-ylidene]hydroxylamine

(NZ)-N-[(3Z)-3-hydroxyimino-1,4-dimethylpiperazin-2-ylidene]hydroxylamine (PubChem CID 136628891) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is (NZ)-N-[(3Z)-3-hydroxyimino-1,4-dimethylpiperazin-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3Z)-3-hydroxyimino-1,4-dimethylpiperazin-2-ylidene]hydroxylamine
PubChem CID136628891
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name(NZ)-N-[(3Z)-3-hydroxyimino-1,4-dimethylpiperazin-2-ylidene]hydroxylamine
SMILESCN1CCN(C)C(=N\O)/C1=N/O
InChIInChI=1S/C6H12N4O2/c1-9-3-4-10(2)6(8-12)5(9)7-11/h11-12H,3-4H2,1-2H3/b7-5-,8-6-
InChIKeyIJVDCSQCEFBYMF-SFECMWDFSA-N
XLogP-0.56
TPSA71.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3Z)-3-hydroxyimino-1,4-dimethylpiperazin-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3Z)-3-hydroxyimino-1,4-dimethylpiperazin-2-ylidene]hydroxylamine (CID 136628891) is (NZ)-N-[(3Z)-3-hydroxyimino-1,4-dimethylpiperazin-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3Z)-3-hydroxyimino-1,4-dimethylpiperazin-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3Z)-3-hydroxyimino-1,4-dimethylpiperazin-2-ylidene]hydroxylamine is CN1CCN(C)C(=N\O)/C1=N/O.
What is the InChIKey of (NZ)-N-[(3Z)-3-hydroxyimino-1,4-dimethylpiperazin-2-ylidene]hydroxylamine?
The InChIKey is IJVDCSQCEFBYMF-SFECMWDFSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-9-3-4-10(2)6(8-12)5(9)7-11/h11-12H,3-4H2,1-2H3/b7-5-,8-6-.
What are the key properties of (NZ)-N-[(3Z)-3-hydroxyimino-1,4-dimethylpiperazin-2-ylidene]hydroxylamine?
(NZ)-N-[(3Z)-3-hydroxyimino-1,4-dimethylpiperazin-2-ylidene]hydroxylamine has a molecular weight of 172.19 g/mol, XLogP of -0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3Z)-3-hydroxyimino-1,4-dimethylpiperazin-2-ylidene]hydroxylamine is sourced from PubChem (CID 136628891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).