[(E)-pyrazin-2-ylmethylideneamino] acetate

C7H7N3O2 — CID 87078918

IUPAC[(E)-pyrazin-2-ylmethylideneamino] acetate
SMILESCC(=O)O/N=C/c1cnccn1
InChIInChI=1S/C7H7N3O2/c1-6(11)12-10-5-7-4-8-2-3-9-7/h2-5H,1H3/b10-5+
InChIKeyQAPNVBHOSDBAAV-BJMVGYQFSA-N
MW165.15 g/mol
LogP0.37
Rot. Bonds2

About [(E)-pyrazin-2-ylmethylideneamino] acetate

[(E)-pyrazin-2-ylmethylideneamino] acetate (PubChem CID 87078918) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is [(E)-pyrazin-2-ylmethylideneamino] acetate.

Molecular Properties

Compound Name[(E)-pyrazin-2-ylmethylideneamino] acetate
PubChem CID87078918
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name[(E)-pyrazin-2-ylmethylideneamino] acetate
SMILESCC(=O)O/N=C/c1cnccn1
InChIInChI=1S/C7H7N3O2/c1-6(11)12-10-5-7-4-8-2-3-9-7/h2-5H,1H3/b10-5+
InChIKeyQAPNVBHOSDBAAV-BJMVGYQFSA-N
XLogP0.37
TPSA64.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-dimethylsilyloxy-1-pyrazin-2-ylmethanimine
CID 137330093
[(E)-(1-methyltriazol-4-yl)methylideneamino] acetate
CID 87078643
acetamide;pyrazin-2-amine
CID 175290934
1-methyl-1-[(E)-pyrazin-2-ylmethylideneamino]thiourea
CID 119092645
ethane;pyrazine-2-carbaldehyde
CID 145021385
1,5-di(pyrazin-2-yl)penta-1,4-dien-3-one
CID 123693209
2-hydroxy-3-pyrazin-2-ylprop-2-enamide
CID 149253820
tert-butyl 4-methyl-2-(pyrazin-2-ylmethylideneamino)pentanoate
CID 58755191
tert-butyl 3-pyrazin-2-ylprop-2-enoate
CID 72519066
[[2-(dimethylamino)-3-pyridinyl]methylideneamino] acetate
CID 174960095
ethyl 3-pyrazin-2-ylprop-2-enoate
CID 123243841
[(Z)-pyridin-2-ylmethylideneamino] carbamate
CID 5381364

Frequently Asked Questions

What is the IUPAC name of [(E)-pyrazin-2-ylmethylideneamino] acetate?
The IUPAC name of [(E)-pyrazin-2-ylmethylideneamino] acetate (CID 87078918) is [(E)-pyrazin-2-ylmethylideneamino] acetate.
What is the SMILES notation for [(E)-pyrazin-2-ylmethylideneamino] acetate?
The canonical SMILES for [(E)-pyrazin-2-ylmethylideneamino] acetate is CC(=O)O/N=C/c1cnccn1.
What is the InChIKey of [(E)-pyrazin-2-ylmethylideneamino] acetate?
The InChIKey is QAPNVBHOSDBAAV-BJMVGYQFSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-6(11)12-10-5-7-4-8-2-3-9-7/h2-5H,1H3/b10-5+.
What are the key properties of [(E)-pyrazin-2-ylmethylideneamino] acetate?
[(E)-pyrazin-2-ylmethylideneamino] acetate has a molecular weight of 165.15 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pyrazin-2-ylmethylideneamino] acetate is sourced from PubChem (CID 87078918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).