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

C10H14N6O4 — CID 137300558

IUPAC(NZ)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine
SMILESCOc1nc(/C(=N/O)[N+](=O)[O-])nc(N2CCCCC2)n1
InChIInChI=1S/C10H14N6O4/c1-20-10-12-7(8(14-17)16(18)19)11-9(13-10)15-5-3-2-4-6-15/h17H,2-6H2,1H3/b14-8-
InChIKeyMINJSWGDNWDKOE-ZSOIEALJSA-N
MW282.26 g/mol
LogP0.28
Rot. Bonds3

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

(NZ)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine (PubChem CID 137300558) has the molecular formula C10H14N6O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is (NZ)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine
PubChem CID137300558
Molecular FormulaC10H14N6O4
Molecular Weight282.26 g/mol
Exact Mass282.11
IUPAC Name(NZ)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine
SMILESCOc1nc(/C(=N/O)[N+](=O)[O-])nc(N2CCCCC2)n1
InChIInChI=1S/C10H14N6O4/c1-20-10-12-7(8(14-17)16(18)19)11-9(13-10)15-5-3-2-4-6-15/h17H,2-6H2,1H3/b14-8-
InChIKeyMINJSWGDNWDKOE-ZSOIEALJSA-N
XLogP0.28
TPSA126.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

N'-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide
CID 135544634
[4-methoxy-6-(1-piperidinyl)-1H-1,3,5-triazin-2-ylidene]-nitrosomethanamine
CID 3237464
N'-hydroxy-4-methoxy-6-(piperidin-1-yl)-1,3,5-triazine-2-carboximidamide
CID 135517568
2-Piperidinyl-4-methoxy-6-dinitromethyl-1,3,5-triazine
CID 125485716
2-Methoxy-4-(4'-methyl-piperazino)-6-dinitromethyl-1,3,5-triazine
CID 129761946
2-Methoxy-4-pyrrolidinyl-6-trinitromethyl-1,3,5-triazine
CID 129772274
2-Dimethyl(diethyl)amino-4-methoxy-6-trinitromethyl-1,3,5-triazine
CID 129799339
2-Diethylamino-6-methoxy-4-trinitromethyl-1,3,5-triazine
CID 129799601
(NZ)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine
CID 137300559
(NZ)-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine
CID 137300560
2-(Chlorodinitromethyl)-4-methoxy-6-(4-methylpiperazine-1-yl)-1,3,5-triazine
CID 169452312
2-[Chloro(dinitro)methyl]-4-methoxy-6-(piperidin-1-yl)-1,3,5-triazine
CID 12991385

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine (CID 137300558) is (NZ)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine is COc1nc(/C(=N/O)[N+](=O)[O-])nc(N2CCCCC2)n1.
What is the InChIKey of (NZ)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine?
The InChIKey is MINJSWGDNWDKOE-ZSOIEALJSA-N. The full InChI is InChI=1S/C10H14N6O4/c1-20-10-12-7(8(14-17)16(18)19)11-9(13-10)15-5-3-2-4-6-15/h17H,2-6H2,1H3/b14-8-.
What are the key properties of (NZ)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine?
(NZ)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine has a molecular weight of 282.26 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine is sourced from PubChem (CID 137300558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).