(NZ)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine

C9H12N6O5 — CID 137300559

IUPAC(NZ)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine
SMILESCOc1nc(/C(=N/O)[N+](=O)[O-])nc(N2CCOCC2)n1
InChIInChI=1S/C9H12N6O5/c1-19-9-11-6(7(13-16)15(17)18)10-8(12-9)14-2-4-20-5-3-14/h16H,2-5H2,1H3/b13-7-
InChIKeyZZDXSGBMKJIXMG-QPEQYQDCSA-N
MW284.23 g/mol
LogP-0.87
Rot. Bonds3

About (NZ)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine

(NZ)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine (PubChem CID 137300559) has the molecular formula C9H12N6O5 and a molecular weight of 284.23 g/mol. Its IUPAC name is (NZ)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine
PubChem CID137300559
Molecular FormulaC9H12N6O5
Molecular Weight284.23 g/mol
Exact Mass284.09
IUPAC Name(NZ)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine
SMILESCOc1nc(/C(=N/O)[N+](=O)[O-])nc(N2CCOCC2)n1
InChIInChI=1S/C9H12N6O5/c1-19-9-11-6(7(13-16)15(17)18)10-8(12-9)14-2-4-20-5-3-14/h16H,2-5H2,1H3/b13-7-
InChIKeyZZDXSGBMKJIXMG-QPEQYQDCSA-N
XLogP-0.87
TPSA136.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-Pyrrolidin-1-yl-6-(trinitromethyl)-1,3,5-triazin-2-yl]morpholine
CID 24859323
2-Methoxy-4-(4'-methyl-piperazino)-6-dinitromethyl-1,3,5-triazine
CID 129761946
2-Dimethylamino(morpholino)-4-methoxy-1,3,5-triazin-6-ylnitroformaldoxime
CID 129792964
2-Diethylamino-6-methoxy-4-trinitromethyl-1,3,5-triazine
CID 129799601
4-[4-Methoxy-6-(trinitromethyl)-1,3,5-triazin-2-yl]morpholine
CID 135078512
(NZ)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine
CID 137300558
2-(Chlorodinitromethyl)-4-methoxy-6-(4-methylpiperazine-1-yl)-1,3,5-triazine
CID 169452312
N'-hydroxy-4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide
CID 4612877
[1,3,5]Triazine-2-carboxamidine, N-hydroxy-4-methoxy-6-(morpholin-4-yl)-
CID 135517563
N'-hydroxy-4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide
CID 135788801
4-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)methyl]morpholine
CID 66974776
4-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)methyl]-4-methylmorpholin-4-ium
CID 137446487

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine (CID 137300559) is (NZ)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine is COc1nc(/C(=N/O)[N+](=O)[O-])nc(N2CCOCC2)n1.
What is the InChIKey of (NZ)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine?
The InChIKey is ZZDXSGBMKJIXMG-QPEQYQDCSA-N. The full InChI is InChI=1S/C9H12N6O5/c1-19-9-11-6(7(13-16)15(17)18)10-8(12-9)14-2-4-20-5-3-14/h16H,2-5H2,1H3/b13-7-.
What are the key properties of (NZ)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine?
(NZ)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine has a molecular weight of 284.23 g/mol, XLogP of -0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine is sourced from PubChem (CID 137300559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).