(NE)-N-(2-pyrazin-2-ylethylidene)hydroxylamine

C6H7N3O — CID 15271619

IUPAC(NE)-N-(2-pyrazin-2-ylethylidene)hydroxylamine
SMILESO/N=C/Cc1cnccn1
InChIInChI=1S/C6H7N3O/c10-9-2-1-6-5-7-3-4-8-6/h2-5,10H,1H2/b9-2+
InChIKeyIEIHIUPFVNHNQY-XNWCZRBMSA-N
MW137.14 g/mol
LogP0.48
Rot. Bonds2

About (NE)-N-(2-pyrazin-2-ylethylidene)hydroxylamine

(NE)-N-(2-pyrazin-2-ylethylidene)hydroxylamine (PubChem CID 15271619) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is (NE)-N-(2-pyrazin-2-ylethylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-pyrazin-2-ylethylidene)hydroxylamine
PubChem CID15271619
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name(NE)-N-(2-pyrazin-2-ylethylidene)hydroxylamine
SMILESO/N=C/Cc1cnccn1
InChIInChI=1S/C6H7N3O/c10-9-2-1-6-5-7-3-4-8-6/h2-5,10H,1H2/b9-2+
InChIKeyIEIHIUPFVNHNQY-XNWCZRBMSA-N
XLogP0.48
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-pyrazin-2-ylethylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-pyrazin-2-ylethylidene)hydroxylamine (CID 15271619) is (NE)-N-(2-pyrazin-2-ylethylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-pyrazin-2-ylethylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-pyrazin-2-ylethylidene)hydroxylamine is O/N=C/Cc1cnccn1.
What is the InChIKey of (NE)-N-(2-pyrazin-2-ylethylidene)hydroxylamine?
The InChIKey is IEIHIUPFVNHNQY-XNWCZRBMSA-N. The full InChI is InChI=1S/C6H7N3O/c10-9-2-1-6-5-7-3-4-8-6/h2-5,10H,1H2/b9-2+.
What are the key properties of (NE)-N-(2-pyrazin-2-ylethylidene)hydroxylamine?
(NE)-N-(2-pyrazin-2-ylethylidene)hydroxylamine has a molecular weight of 137.14 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-pyrazin-2-ylethylidene)hydroxylamine is sourced from PubChem (CID 15271619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).