6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide

C11H14ClN3O — CID 86026045

IUPAC6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCC1CCC1)c1ccc(Cl)nn1
InChIInChI=1S/C11H14ClN3O/c12-10-5-4-9(14-15-10)11(16)13-7-6-8-2-1-3-8/h4-5,8H,1-3,6-7H2,(H,13,16)
InChIKeyWFHNCBSAQBJTLV-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.05
Rot. Bonds4

About 6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide

6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide (PubChem CID 86026045) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide
PubChem CID86026045
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCC1CCC1)c1ccc(Cl)nn1
InChIInChI=1S/C11H14ClN3O/c12-10-5-4-9(14-15-10)11(16)13-7-6-8-2-1-3-8/h4-5,8H,1-3,6-7H2,(H,13,16)
InChIKeyWFHNCBSAQBJTLV-UHFFFAOYSA-N
XLogP2.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide
CID 54932474
6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide
CID 157465812
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146199
6-chloro-N-cyclobutylpyridazine-3-carboxamide
CID 62416339
N-(2-cyclohexylethyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62235799
5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 55230785
6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146608
6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 63712476
6-chloro-N-[(3-hydroxycyclopentyl)methyl]pyridazine-3-carboxamide
CID 106120095
6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113479299
6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide
CID 61052267
1-chloro-N-(2-cyclobutylethyl)isoquinoline-3-carboxamide
CID 115687065

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide (CID 86026045) is 6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide is O=C(NCCC1CCC1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide?
The InChIKey is WFHNCBSAQBJTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-10-5-4-9(14-15-10)11(16)13-7-6-8-2-1-3-8/h4-5,8H,1-3,6-7H2,(H,13,16).
What are the key properties of 6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide?
6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide has a molecular weight of 239.71 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 86026045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).