ethyl pyridazine-4-carboxylate;hydron

C7H9N2O2+ — CID 174586916

IUPACethyl pyridazine-4-carboxylate;hydron
SMILESCCOC(=O)c1ccnnc1.[H+]
InChIInChI=1S/C7H8N2O2/c1-2-11-7(10)6-3-4-8-9-5-6/h3-5H,2H2,1H3/p+1
InChIKeyFVBGGKYTKXFLOV-UHFFFAOYSA-O
MW153.16 g/mol
LogP0.77
Rot. Bonds2

About ethyl pyridazine-4-carboxylate;hydron

ethyl pyridazine-4-carboxylate;hydron (PubChem CID 174586916) has the molecular formula C7H9N2O2+ and a molecular weight of 153.16 g/mol. Its IUPAC name is ethyl pyridazine-4-carboxylate;hydron.

Molecular Properties

Compound Nameethyl pyridazine-4-carboxylate;hydron
PubChem CID174586916
Molecular FormulaC7H9N2O2+
Molecular Weight153.16 g/mol
Exact Mass153.07
IUPAC Nameethyl pyridazine-4-carboxylate;hydron
SMILESCCOC(=O)c1ccnnc1.[H+]
InChIInChI=1S/C7H8N2O2/c1-2-11-7(10)6-3-4-8-9-5-6/h3-5H,2H2,1H3/p+1
InChIKeyFVBGGKYTKXFLOV-UHFFFAOYSA-O
XLogP0.77
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate
CID 112701078
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ethyl 2-methyl-4-(pyridazine-4-carbonylamino)-1H-pyrrole-3-carboxylate
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[2-[bis(prop-2-enyl)amino]-2-oxoethyl] pyridazine-4-carboxylate
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ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
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(4-ethoxyphenyl)-pyridazin-4-ylmethanone
CID 105093922
pyridazine-4-carboxamide
CID 10920505
ethyl 6-deuteriopyridine-3-carboxylate
CID 42612866
ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
pyridazine-4-carbohydrazide;hydrochloride
CID 122236542

Frequently Asked Questions

What is the IUPAC name of ethyl pyridazine-4-carboxylate;hydron?
The IUPAC name of ethyl pyridazine-4-carboxylate;hydron (CID 174586916) is ethyl pyridazine-4-carboxylate;hydron.
What is the SMILES notation for ethyl pyridazine-4-carboxylate;hydron?
The canonical SMILES for ethyl pyridazine-4-carboxylate;hydron is CCOC(=O)c1ccnnc1.[H+].
What is the InChIKey of ethyl pyridazine-4-carboxylate;hydron?
The InChIKey is FVBGGKYTKXFLOV-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H8N2O2/c1-2-11-7(10)6-3-4-8-9-5-6/h3-5H,2H2,1H3/p+1.
What are the key properties of ethyl pyridazine-4-carboxylate;hydron?
ethyl pyridazine-4-carboxylate;hydron has a molecular weight of 153.16 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl pyridazine-4-carboxylate;hydron is sourced from PubChem (CID 174586916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).