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

C6H8N4O2 — CID 135518046

IUPAC(NE)-N-[1-(3-methoxy-1,2,4-triazin-5-yl)ethylidene]hydroxylamine
SMILESCOc1nncc(/C(C)=N/O)n1
InChIInChI=1S/C6H8N4O2/c1-4(10-11)5-3-7-9-6(8-5)12-2/h3,11H,1-2H3/b10-4+
InChIKeyQVQPQGBFXWDYDQ-ONNFQVAWSA-N
MW168.16 g/mol
LogP0.08
Rot. Bonds2

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

(NE)-N-[1-(3-methoxy-1,2,4-triazin-5-yl)ethylidene]hydroxylamine (PubChem CID 135518046) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is (NE)-N-[1-(3-methoxy-1,2,4-triazin-5-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(3-methoxy-1,2,4-triazin-5-yl)ethylidene]hydroxylamine
PubChem CID135518046
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name(NE)-N-[1-(3-methoxy-1,2,4-triazin-5-yl)ethylidene]hydroxylamine
SMILESCOc1nncc(/C(C)=N/O)n1
InChIInChI=1S/C6H8N4O2/c1-4(10-11)5-3-7-9-6(8-5)12-2/h3,11H,1-2H3/b10-4+
InChIKeyQVQPQGBFXWDYDQ-ONNFQVAWSA-N
XLogP0.08
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.08
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 (NE)-N-[1-(3-methoxy-1,2,4-triazin-5-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(3-methoxy-1,2,4-triazin-5-yl)ethylidene]hydroxylamine (CID 135518046) is (NE)-N-[1-(3-methoxy-1,2,4-triazin-5-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(3-methoxy-1,2,4-triazin-5-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(3-methoxy-1,2,4-triazin-5-yl)ethylidene]hydroxylamine is COc1nncc(/C(C)=N/O)n1.
What is the InChIKey of (NE)-N-[1-(3-methoxy-1,2,4-triazin-5-yl)ethylidene]hydroxylamine?
The InChIKey is QVQPQGBFXWDYDQ-ONNFQVAWSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-4(10-11)5-3-7-9-6(8-5)12-2/h3,11H,1-2H3/b10-4+.
What are the key properties of (NE)-N-[1-(3-methoxy-1,2,4-triazin-5-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(3-methoxy-1,2,4-triazin-5-yl)ethylidene]hydroxylamine has a molecular weight of 168.16 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(3-methoxy-1,2,4-triazin-5-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 135518046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).