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

C7H10N6O4 — CID 137300557

IUPAC(NZ)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-nitromethylidene]hydroxylamine
SMILESCOc1nc(/C(=N/O)[N+](=O)[O-])nc(N(C)C)n1
InChIInChI=1S/C7H10N6O4/c1-12(2)6-8-4(5(11-14)13(15)16)9-7(10-6)17-3/h14H,1-3H3/b11-5-
InChIKeyRVSSMOQXZVOLII-WZUFQYTHSA-N
MW242.19 g/mol
LogP-0.64
Rot. Bonds3

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

(NZ)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-nitromethylidene]hydroxylamine (PubChem CID 137300557) has the molecular formula C7H10N6O4 and a molecular weight of 242.19 g/mol. Its IUPAC name is (NZ)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-nitromethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-nitromethylidene]hydroxylamine
PubChem CID137300557
Molecular FormulaC7H10N6O4
Molecular Weight242.19 g/mol
Exact Mass242.08
IUPAC Name(NZ)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-nitromethylidene]hydroxylamine
SMILESCOc1nc(/C(=N/O)[N+](=O)[O-])nc(N(C)C)n1
InChIInChI=1S/C7H10N6O4/c1-12(2)6-8-4(5(11-14)13(15)16)9-7(10-6)17-3/h14H,1-3H3/b11-5-
InChIKeyRVSSMOQXZVOLII-WZUFQYTHSA-N
XLogP-0.64
TPSA126.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-0.64
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'}

Analyze (NZ)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-nitromethylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-nitromethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-nitromethylidene]hydroxylamine (CID 137300557) is (NZ)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-nitromethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-nitromethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-nitromethylidene]hydroxylamine is COc1nc(/C(=N/O)[N+](=O)[O-])nc(N(C)C)n1.
What is the InChIKey of (NZ)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-nitromethylidene]hydroxylamine?
The InChIKey is RVSSMOQXZVOLII-WZUFQYTHSA-N. The full InChI is InChI=1S/C7H10N6O4/c1-12(2)6-8-4(5(11-14)13(15)16)9-7(10-6)17-3/h14H,1-3H3/b11-5-.
What are the key properties of (NZ)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-nitromethylidene]hydroxylamine?
(NZ)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-nitromethylidene]hydroxylamine has a molecular weight of 242.19 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-nitromethylidene]hydroxylamine is sourced from PubChem (CID 137300557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).