6-chloro-N-hexylpyridazine-3-carboxamide

C11H16ClN3O — CID 61041519

IUPAC6-chloro-N-hexylpyridazine-3-carboxamide
SMILESCCCCCCNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C11H16ClN3O/c1-2-3-4-5-8-13-11(16)9-6-7-10(12)15-14-9/h6-7H,2-5,8H2,1H3,(H,13,16)
InChIKeyZEUPFSSRUQUCPS-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.44
Rot. Bonds6

About 6-chloro-N-hexylpyridazine-3-carboxamide

6-chloro-N-hexylpyridazine-3-carboxamide (PubChem CID 61041519) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-chloro-N-hexylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-hexylpyridazine-3-carboxamide
PubChem CID61041519
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name6-chloro-N-hexylpyridazine-3-carboxamide
SMILESCCCCCCNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C11H16ClN3O/c1-2-3-4-5-8-13-11(16)9-6-7-10(12)15-14-9/h6-7H,2-5,8H2,1H3,(H,13,16)
InChIKeyZEUPFSSRUQUCPS-UHFFFAOYSA-N
XLogP2.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-ethylpyridazine-3-carboxamide
CID 60859181
6-chloro-N-methylpyridazine-3-carboxamide
CID 16733787
6-chloro-N-(propan-2-yl)pyridazine-3-carboxamide
CID 17906937
6-chloro-N-(2-hydroxyethyl)pyridazine-3-carboxamide
CID 54390932
6-chloro-N,N-dimethylpyridazine-3-carboxamide
CID 60858206
6-Chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
CID 65561565
6-chloro-N-(2H3)methylpyridazine-3-carboxamide
CID 172406876
6-chloro-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 60858880
6-chloro-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide hydrochloride
CID 54595913
Tert-butyl 4-(6-chloropyridazine-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 104933550
tert-butyl N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]carbamate
CID 145913400
N-tert-butyl-6-chloropyridazine-3-carboxamide
CID 12059835

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-hexylpyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-hexylpyridazine-3-carboxamide (CID 61041519) is 6-chloro-N-hexylpyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-hexylpyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-hexylpyridazine-3-carboxamide is CCCCCCNC(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-hexylpyridazine-3-carboxamide?
The InChIKey is ZEUPFSSRUQUCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-2-3-4-5-8-13-11(16)9-6-7-10(12)15-14-9/h6-7H,2-5,8H2,1H3,(H,13,16).
What are the key properties of 6-chloro-N-hexylpyridazine-3-carboxamide?
6-chloro-N-hexylpyridazine-3-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-hexylpyridazine-3-carboxamide is sourced from PubChem (CID 61041519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).