2-(4-hydroxy-6-oxopyridazin-1-yl)acetonitrile

C6H5N3O2 — CID 57213933

IUPAC2-(4-hydroxy-6-oxopyridazin-1-yl)acetonitrile
SMILESN#CCn1ncc(O)cc1=O
InChIInChI=1S/C6H5N3O2/c7-1-2-9-6(11)3-5(10)4-8-9/h3-4,10H,2H2
InChIKeyWDJLYILMBXHEDL-UHFFFAOYSA-N
MW151.12 g/mol
LogP-0.53
Rot. Bonds1

About 2-(4-hydroxy-6-oxopyridazin-1-yl)acetonitrile

2-(4-hydroxy-6-oxopyridazin-1-yl)acetonitrile (PubChem CID 57213933) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 2-(4-hydroxy-6-oxopyridazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-hydroxy-6-oxopyridazin-1-yl)acetonitrile
PubChem CID57213933
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name2-(4-hydroxy-6-oxopyridazin-1-yl)acetonitrile
SMILESN#CCn1ncc(O)cc1=O
InChIInChI=1S/C6H5N3O2/c7-1-2-9-6(11)3-5(10)4-8-9/h3-4,10H,2H2
InChIKeyWDJLYILMBXHEDL-UHFFFAOYSA-N
XLogP-0.53
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Hydroxy-2-methyl-2,3-dihydropyridazin-3-one
CID 58493404
5-Hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 57012818
1-Allyl-5-bromo-6-hydroxypyridazin-6-one
CID 54715448
4-Chloro-5-hydroxy-2-(prop-2-en-1-yl)pyridazin-3(2H)-one
CID 54685550
5-Hydroxy-2-prop-2-ynylpyridazin-3-one
CID 57147962
5-Hydroxy-2-propan-2-ylpyridazin-3-one
CID 129450951
5-Hydroxy-1,2-dimethylpyridazin-1-ium-3-one
CID 122229069
5-Hydroxy-2-(2-methylpropyl)pyridazin-3-one
CID 129450962
2-Ethyl-5-hydroxy-2,3-dihydropyridazin-3-one
CID 129452088

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-6-oxopyridazin-1-yl)acetonitrile?
The IUPAC name of 2-(4-hydroxy-6-oxopyridazin-1-yl)acetonitrile (CID 57213933) is 2-(4-hydroxy-6-oxopyridazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-hydroxy-6-oxopyridazin-1-yl)acetonitrile?
The canonical SMILES for 2-(4-hydroxy-6-oxopyridazin-1-yl)acetonitrile is N#CCn1ncc(O)cc1=O.
What is the InChIKey of 2-(4-hydroxy-6-oxopyridazin-1-yl)acetonitrile?
The InChIKey is WDJLYILMBXHEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c7-1-2-9-6(11)3-5(10)4-8-9/h3-4,10H,2H2.
What are the key properties of 2-(4-hydroxy-6-oxopyridazin-1-yl)acetonitrile?
2-(4-hydroxy-6-oxopyridazin-1-yl)acetonitrile has a molecular weight of 151.12 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-6-oxopyridazin-1-yl)acetonitrile is sourced from PubChem (CID 57213933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).