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

C6H7N5O5 — CID 137305973

IUPAC(NZ)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine
SMILESCOc1nc(OC)nc(/C(=N/O)[N+](=O)[O-])n1
InChIInChI=1S/C6H7N5O5/c1-15-5-7-3(4(10-12)11(13)14)8-6(9-5)16-2/h12H,1-2H3/b10-4-
InChIKeyMIOVYKWPYIRKPL-WMZJFQQLSA-N
MW229.15 g/mol
LogP-0.70
Rot. Bonds3

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

(NZ)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine (PubChem CID 137305973) has the molecular formula C6H7N5O5 and a molecular weight of 229.15 g/mol. Its IUPAC name is (NZ)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine
PubChem CID137305973
Molecular FormulaC6H7N5O5
Molecular Weight229.15 g/mol
Exact Mass229.04
IUPAC Name(NZ)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine
SMILESCOc1nc(OC)nc(/C(=N/O)[N+](=O)[O-])n1
InChIInChI=1S/C6H7N5O5/c1-15-5-7-3(4(10-12)11(13)14)8-6(9-5)16-2/h12H,1-2H3/b10-4-
InChIKeyMIOVYKWPYIRKPL-WMZJFQQLSA-N
XLogP-0.70
TPSA132.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 5-0.70
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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine (CID 137305973) is (NZ)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine is COc1nc(OC)nc(/C(=N/O)[N+](=O)[O-])n1.
What is the InChIKey of (NZ)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine?
The InChIKey is MIOVYKWPYIRKPL-WMZJFQQLSA-N. The full InChI is InChI=1S/C6H7N5O5/c1-15-5-7-3(4(10-12)11(13)14)8-6(9-5)16-2/h12H,1-2H3/b10-4-.
What are the key properties of (NZ)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine?
(NZ)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine has a molecular weight of 229.15 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-nitromethylidene]hydroxylamine is sourced from PubChem (CID 137305973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).