hydroxyimino-oxido-(4-pyrimidin-2-ylpiperazin-1-yl)azanium

C8H12N6O2 — CID 136674209

IUPAChydroxyimino-oxido-(4-pyrimidin-2-ylpiperazin-1-yl)azanium
SMILES[O-][N+](=NO)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C8H12N6O2/c15-11-14(16)13-6-4-12(5-7-13)8-9-2-1-3-10-8/h1-3,15H,4-7H2
InChIKeyDAQIWCAWFZJUKB-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.13
Rot. Bonds2

About hydroxyimino-oxido-(4-pyrimidin-2-ylpiperazin-1-yl)azanium

hydroxyimino-oxido-(4-pyrimidin-2-ylpiperazin-1-yl)azanium (PubChem CID 136674209) has the molecular formula C8H12N6O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is hydroxyimino-oxido-(4-pyrimidin-2-ylpiperazin-1-yl)azanium.

Molecular Properties

Compound Namehydroxyimino-oxido-(4-pyrimidin-2-ylpiperazin-1-yl)azanium
PubChem CID136674209
Molecular FormulaC8H12N6O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Namehydroxyimino-oxido-(4-pyrimidin-2-ylpiperazin-1-yl)azanium
SMILES[O-][N+](=NO)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C8H12N6O2/c15-11-14(16)13-6-4-12(5-7-13)8-9-2-1-3-10-8/h1-3,15H,4-7H2
InChIKeyDAQIWCAWFZJUKB-UHFFFAOYSA-N
XLogP-0.13
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
N'-hydroxy-1-pyrimidin-2-ylpiperidine-4-carboximidamide
CID 97357761
4-pyrimidin-2-ylpiperazine-1-sulfonic acid
CID 142758234
1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 21279253
(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987866
5-nitro-8-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 46238560
ethane;1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yne-1-thione
CID 90699654
N'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 62362264
3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopent-2-en-1-one
CID 104787652
N'-(3-hydroxycyclobutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 122098254
N-methyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide
CID 4550409

Frequently Asked Questions

What is the IUPAC name of hydroxyimino-oxido-(4-pyrimidin-2-ylpiperazin-1-yl)azanium?
The IUPAC name of hydroxyimino-oxido-(4-pyrimidin-2-ylpiperazin-1-yl)azanium (CID 136674209) is hydroxyimino-oxido-(4-pyrimidin-2-ylpiperazin-1-yl)azanium.
What is the SMILES notation for hydroxyimino-oxido-(4-pyrimidin-2-ylpiperazin-1-yl)azanium?
The canonical SMILES for hydroxyimino-oxido-(4-pyrimidin-2-ylpiperazin-1-yl)azanium is [O-][N+](=NO)N1CCN(c2ncccn2)CC1.
What is the InChIKey of hydroxyimino-oxido-(4-pyrimidin-2-ylpiperazin-1-yl)azanium?
The InChIKey is DAQIWCAWFZJUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2/c15-11-14(16)13-6-4-12(5-7-13)8-9-2-1-3-10-8/h1-3,15H,4-7H2.
What are the key properties of hydroxyimino-oxido-(4-pyrimidin-2-ylpiperazin-1-yl)azanium?
hydroxyimino-oxido-(4-pyrimidin-2-ylpiperazin-1-yl)azanium has a molecular weight of 224.22 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxyimino-oxido-(4-pyrimidin-2-ylpiperazin-1-yl)azanium is sourced from PubChem (CID 136674209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).