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

C5H6N4O2 — CID 135778292

IUPAC(NZ)-N-[(3-methoxy-1,2,4-triazin-5-yl)methylidene]hydroxylamine
SMILESCOc1nncc(/C=N\O)n1
InChIInChI=1S/C5H6N4O2/c1-11-5-8-4(3-7-10)2-6-9-5/h2-3,10H,1H3/b7-3-
InChIKeyJEIABIZWIDIWJO-CLTKARDFSA-N
MW154.13 g/mol
LogP-0.31
Rot. Bonds2

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

(NZ)-N-[(3-methoxy-1,2,4-triazin-5-yl)methylidene]hydroxylamine (PubChem CID 135778292) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is (NZ)-N-[(3-methoxy-1,2,4-triazin-5-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3-methoxy-1,2,4-triazin-5-yl)methylidene]hydroxylamine
PubChem CID135778292
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name(NZ)-N-[(3-methoxy-1,2,4-triazin-5-yl)methylidene]hydroxylamine
SMILESCOc1nncc(/C=N\O)n1
InChIInChI=1S/C5H6N4O2/c1-11-5-8-4(3-7-10)2-6-9-5/h2-3,10H,1H3/b7-3-
InChIKeyJEIABIZWIDIWJO-CLTKARDFSA-N
XLogP-0.31
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(3-methoxy-1,2,4-triazin-5-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3-methoxy-1,2,4-triazin-5-yl)methylidene]hydroxylamine (CID 135778292) is (NZ)-N-[(3-methoxy-1,2,4-triazin-5-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3-methoxy-1,2,4-triazin-5-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3-methoxy-1,2,4-triazin-5-yl)methylidene]hydroxylamine is COc1nncc(/C=N\O)n1.
What is the InChIKey of (NZ)-N-[(3-methoxy-1,2,4-triazin-5-yl)methylidene]hydroxylamine?
The InChIKey is JEIABIZWIDIWJO-CLTKARDFSA-N. The full InChI is InChI=1S/C5H6N4O2/c1-11-5-8-4(3-7-10)2-6-9-5/h2-3,10H,1H3/b7-3-.
What are the key properties of (NZ)-N-[(3-methoxy-1,2,4-triazin-5-yl)methylidene]hydroxylamine?
(NZ)-N-[(3-methoxy-1,2,4-triazin-5-yl)methylidene]hydroxylamine has a molecular weight of 154.13 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-methoxy-1,2,4-triazin-5-yl)methylidene]hydroxylamine is sourced from PubChem (CID 135778292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).