(3-oxo-3-pyrazin-2-ylprop-1-enylidene)azanide

C7H4N3O- — CID 140612761

IUPAC(3-oxo-3-pyrazin-2-ylprop-1-enylidene)azanide
SMILES[N-]=C=CC(=O)c1cnccn1
InChIInChI=1S/C7H4N3O/c8-2-1-7(11)6-5-9-3-4-10-6/h1,3-5H/q-1
InChIKeyZOCFNZDIHMFQOE-UHFFFAOYSA-N
MW146.13 g/mol
LogP0.45
Rot. Bonds2

About (3-oxo-3-pyrazin-2-ylprop-1-enylidene)azanide

(3-oxo-3-pyrazin-2-ylprop-1-enylidene)azanide (PubChem CID 140612761) has the molecular formula C7H4N3O- and a molecular weight of 146.13 g/mol. Its IUPAC name is (3-oxo-3-pyrazin-2-ylprop-1-enylidene)azanide.

Molecular Properties

Compound Name(3-oxo-3-pyrazin-2-ylprop-1-enylidene)azanide
PubChem CID140612761
Molecular FormulaC7H4N3O-
Molecular Weight146.13 g/mol
Exact Mass146.04
IUPAC Name(3-oxo-3-pyrazin-2-ylprop-1-enylidene)azanide
SMILES[N-]=C=CC(=O)c1cnccn1
InChIInChI=1S/C7H4N3O/c8-2-1-7(11)6-5-9-3-4-10-6/h1,3-5H/q-1
InChIKeyZOCFNZDIHMFQOE-UHFFFAOYSA-N
XLogP0.45
TPSA65.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.13
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-pyrazin-2-ylbut-2-en-1-one
CID 103453450
1-pyrazin-2-ylbut-2-en-1-one
CID 175484780
pyrazine-2-carbothioic S-acid
CID 87249006
tetrakis(pyrazine-2-carboxylic acid);zirconium
CID 172643699
platinum(2+);bis(pyrazine-2-carboxylic acid);dichloride
CID 54591628
potassium;hydride;pyrazine-2-carboxylic acid
CID 174693780
(E)-3-(4-fluorophenyl)-1-pyrazin-2-ylprop-2-en-1-one
CID 146001170
silyl pyrazine-2-carboxylate
CID 137330489
N-deuteriopyrazine-2-carboxamide
CID 175943999
amino pyrazine-2-carboxylate
CID 67878279
2-methyl-1-pyrazin-2-ylpropan-1-one
CID 538058
2-amino-1-pyrazin-2-ylpent-4-en-1-one
CID 116606989

Frequently Asked Questions

What is the IUPAC name of (3-oxo-3-pyrazin-2-ylprop-1-enylidene)azanide?
The IUPAC name of (3-oxo-3-pyrazin-2-ylprop-1-enylidene)azanide (CID 140612761) is (3-oxo-3-pyrazin-2-ylprop-1-enylidene)azanide.
What is the SMILES notation for (3-oxo-3-pyrazin-2-ylprop-1-enylidene)azanide?
The canonical SMILES for (3-oxo-3-pyrazin-2-ylprop-1-enylidene)azanide is [N-]=C=CC(=O)c1cnccn1.
What is the InChIKey of (3-oxo-3-pyrazin-2-ylprop-1-enylidene)azanide?
The InChIKey is ZOCFNZDIHMFQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N3O/c8-2-1-7(11)6-5-9-3-4-10-6/h1,3-5H/q-1.
What are the key properties of (3-oxo-3-pyrazin-2-ylprop-1-enylidene)azanide?
(3-oxo-3-pyrazin-2-ylprop-1-enylidene)azanide has a molecular weight of 146.13 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-3-pyrazin-2-ylprop-1-enylidene)azanide is sourced from PubChem (CID 140612761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).