pyrazine-2-carbonyl pyridazine-4-carboxylate

C10H6N4O3 — CID 175205992

IUPACpyrazine-2-carbonyl pyridazine-4-carboxylate
SMILESO=C(OC(=O)c1cnccn1)c1ccnnc1
InChIInChI=1S/C10H6N4O3/c15-9(7-1-2-13-14-5-7)17-10(16)8-6-11-3-4-12-8/h1-6H
InChIKeyHXGLPOZMYITOLV-UHFFFAOYSA-N
MW230.18 g/mol
LogP0.26
Rot. Bonds2

About pyrazine-2-carbonyl pyridazine-4-carboxylate

pyrazine-2-carbonyl pyridazine-4-carboxylate (PubChem CID 175205992) has the molecular formula C10H6N4O3 and a molecular weight of 230.18 g/mol. Its IUPAC name is pyrazine-2-carbonyl pyridazine-4-carboxylate.

Molecular Properties

Compound Namepyrazine-2-carbonyl pyridazine-4-carboxylate
PubChem CID175205992
Molecular FormulaC10H6N4O3
Molecular Weight230.18 g/mol
Exact Mass230.04
IUPAC Namepyrazine-2-carbonyl pyridazine-4-carboxylate
SMILESO=C(OC(=O)c1cnccn1)c1ccnnc1
InChIInChI=1S/C10H6N4O3/c15-9(7-1-2-13-14-5-7)17-10(16)8-6-11-3-4-12-8/h1-6H
InChIKeyHXGLPOZMYITOLV-UHFFFAOYSA-N
XLogP0.26
TPSA94.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

amino pyrazine-2-carboxylate
CID 67878279
silyl pyrazine-2-carboxylate
CID 137330489
trifluoromethyl pyrazine-2-carboxylate
CID 142296960
propan-2-yl pyrazine-2-carboxylate
CID 3022328
oxetan-3-yl pyrazine-2-carboxylate
CID 130693172
(benzhydrylideneamino) pyrazine-2-carboxylate
CID 13331734
[4-[4-(pyrazine-2-carbonyloxy)phenyl]sulfanylphenyl] pyrazine-2-carboxylate
CID 18077188
ethyl pyridazine-4-carboxylate;hydron
CID 174586916
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985579
platinum(2+);bis(pyrazine-2-carboxylic acid);dichloride
CID 54591628
pyrazine-2-carbothioic S-acid
CID 87249006

Frequently Asked Questions

What is the IUPAC name of pyrazine-2-carbonyl pyridazine-4-carboxylate?
The IUPAC name of pyrazine-2-carbonyl pyridazine-4-carboxylate (CID 175205992) is pyrazine-2-carbonyl pyridazine-4-carboxylate.
What is the SMILES notation for pyrazine-2-carbonyl pyridazine-4-carboxylate?
The canonical SMILES for pyrazine-2-carbonyl pyridazine-4-carboxylate is O=C(OC(=O)c1cnccn1)c1ccnnc1.
What is the InChIKey of pyrazine-2-carbonyl pyridazine-4-carboxylate?
The InChIKey is HXGLPOZMYITOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O3/c15-9(7-1-2-13-14-5-7)17-10(16)8-6-11-3-4-12-8/h1-6H.
What are the key properties of pyrazine-2-carbonyl pyridazine-4-carboxylate?
pyrazine-2-carbonyl pyridazine-4-carboxylate has a molecular weight of 230.18 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazine-2-carbonyl pyridazine-4-carboxylate is sourced from PubChem (CID 175205992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).