carbonic acid;4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one

C9H14N2O5 — CID 66709277

IUPACcarbonic acid;4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one
SMILESCCc1c(O)c(C)nn(C)c1=O.O=C(O)O
InChIInChI=1S/C8H12N2O2.CH2O3/c1-4-6-7(11)5(2)9-10(3)8(6)12;2-1(3)4/h11H,4H2,1-3H3;(H2,2,3,4)
InChIKeyMURZUMKJMWRXRB-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.58
Rot. Bonds1

About carbonic acid;4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one

carbonic acid;4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one (PubChem CID 66709277) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is carbonic acid;4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one.

Molecular Properties

Compound Namecarbonic acid;4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one
PubChem CID66709277
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Namecarbonic acid;4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one
SMILESCCc1c(O)c(C)nn(C)c1=O.O=C(O)O
InChIInChI=1S/C8H12N2O2.CH2O3/c1-4-6-7(11)5(2)9-10(3)8(6)12;2-1(3)4/h11H,4H2,1-3H3;(H2,2,3,4)
InChIKeyMURZUMKJMWRXRB-UHFFFAOYSA-N
XLogP0.58
TPSA112.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one?
The IUPAC name of carbonic acid;4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one (CID 66709277) is carbonic acid;4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one.
What is the SMILES notation for carbonic acid;4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one?
The canonical SMILES for carbonic acid;4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one is CCc1c(O)c(C)nn(C)c1=O.O=C(O)O.
What is the InChIKey of carbonic acid;4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one?
The InChIKey is MURZUMKJMWRXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.CH2O3/c1-4-6-7(11)5(2)9-10(3)8(6)12;2-1(3)4/h11H,4H2,1-3H3;(H2,2,3,4).
What are the key properties of carbonic acid;4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one?
carbonic acid;4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one has a molecular weight of 230.22 g/mol, XLogP of 0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one is sourced from PubChem (CID 66709277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).