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

C7H10N2O5 — CID 66709309

IUPACcarbonic acid;5-hydroxy-2,6-dimethylpyridazin-3-one
SMILESCc1nn(C)c(=O)cc1O.O=C(O)O
InChIInChI=1S/C6H8N2O2.CH2O3/c1-4-5(9)3-6(10)8(2)7-4;2-1(3)4/h3,9H,1-2H3;(H2,2,3,4)
InChIKeyKLXCAJRJPGPSFF-UHFFFAOYSA-N
MW202.17 g/mol
LogP0.02
Rot. Bonds

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

carbonic acid;5-hydroxy-2,6-dimethylpyridazin-3-one (PubChem CID 66709309) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is carbonic acid;5-hydroxy-2,6-dimethylpyridazin-3-one.

Molecular Properties

Compound Namecarbonic acid;5-hydroxy-2,6-dimethylpyridazin-3-one
PubChem CID66709309
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Namecarbonic acid;5-hydroxy-2,6-dimethylpyridazin-3-one
SMILESCc1nn(C)c(=O)cc1O.O=C(O)O
InChIInChI=1S/C6H8N2O2.CH2O3/c1-4-5(9)3-6(10)8(2)7-4;2-1(3)4/h3,9H,1-2H3;(H2,2,3,4)
InChIKeyKLXCAJRJPGPSFF-UHFFFAOYSA-N
XLogP0.02
TPSA112.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;5-hydroxy-2,6-dimethylpyridazin-3-one?
The IUPAC name of carbonic acid;5-hydroxy-2,6-dimethylpyridazin-3-one (CID 66709309) is carbonic acid;5-hydroxy-2,6-dimethylpyridazin-3-one.
What is the SMILES notation for carbonic acid;5-hydroxy-2,6-dimethylpyridazin-3-one?
The canonical SMILES for carbonic acid;5-hydroxy-2,6-dimethylpyridazin-3-one is Cc1nn(C)c(=O)cc1O.O=C(O)O.
What is the InChIKey of carbonic acid;5-hydroxy-2,6-dimethylpyridazin-3-one?
The InChIKey is KLXCAJRJPGPSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.CH2O3/c1-4-5(9)3-6(10)8(2)7-4;2-1(3)4/h3,9H,1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;5-hydroxy-2,6-dimethylpyridazin-3-one?
carbonic acid;5-hydroxy-2,6-dimethylpyridazin-3-one has a molecular weight of 202.17 g/mol, XLogP of 0.02, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;5-hydroxy-2,6-dimethylpyridazin-3-one is sourced from PubChem (CID 66709309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).