2-butyl-5-chloro-3-oxopyridazine-4-carbonitrile

C9H10ClN3O — CID 140970586

IUPAC2-butyl-5-chloro-3-oxopyridazine-4-carbonitrile
SMILESCCCCn1ncc(Cl)c(C#N)c1=O
InChIInChI=1S/C9H10ClN3O/c1-2-3-4-13-9(14)7(5-11)8(10)6-12-13/h6H,2-4H2,1H3
InChIKeyMBCHNLYHENEGPQ-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.57
Rot. Bonds3

About 2-butyl-5-chloro-3-oxopyridazine-4-carbonitrile

2-butyl-5-chloro-3-oxopyridazine-4-carbonitrile (PubChem CID 140970586) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 2-butyl-5-chloro-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name2-butyl-5-chloro-3-oxopyridazine-4-carbonitrile
PubChem CID140970586
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name2-butyl-5-chloro-3-oxopyridazine-4-carbonitrile
SMILESCCCCn1ncc(Cl)c(C#N)c1=O
InChIInChI=1S/C9H10ClN3O/c1-2-3-4-13-9(14)7(5-11)8(10)6-12-13/h6H,2-4H2,1H3
InChIKeyMBCHNLYHENEGPQ-UHFFFAOYSA-N
XLogP1.57
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-ethyl-4-methyl-3(2H)-pyridazinone
CID 13825165
5-Chloro-2,4-diethylpyridazin-3-one
CID 13825166
4-methyl-5-chloro-2-i-propyl-3(2H)pyridazinone
CID 13853845
4,5-dicyano-2-ethylpyridazin-3-(2H)-one
CID 19081369
2-tert-butyl-5-chloro-4-cyanopyridazin-3-(2H)-one
CID 19081414
5-Chloro-2-(2-chloro-2-methylpropyl)-4-methylpyridazin-3-one
CID 23039521
2-(3,3-Dimethylbutyl)-5-methyl-3-oxopyridazine-4-carbonitrile
CID 143774232
5-Chloro-4-methyl-2-propylpyridazin-3-one
CID 172732113
2-Butyl-5-chloro-4-methylpyridazin-3-one
CID 174531444

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-chloro-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 2-butyl-5-chloro-3-oxopyridazine-4-carbonitrile (CID 140970586) is 2-butyl-5-chloro-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 2-butyl-5-chloro-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 2-butyl-5-chloro-3-oxopyridazine-4-carbonitrile is CCCCn1ncc(Cl)c(C#N)c1=O.
What is the InChIKey of 2-butyl-5-chloro-3-oxopyridazine-4-carbonitrile?
The InChIKey is MBCHNLYHENEGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-2-3-4-13-9(14)7(5-11)8(10)6-12-13/h6H,2-4H2,1H3.
What are the key properties of 2-butyl-5-chloro-3-oxopyridazine-4-carbonitrile?
2-butyl-5-chloro-3-oxopyridazine-4-carbonitrile has a molecular weight of 211.65 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-chloro-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 140970586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).