4-chloro-5-(hexylamino)-2-methylpyridazin-3-one

C11H18ClN3O — CID 47148918

IUPAC4-chloro-5-(hexylamino)-2-methylpyridazin-3-one
SMILESCCCCCCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C11H18ClN3O/c1-3-4-5-6-7-13-9-8-14-15(2)11(16)10(9)12/h8,13H,3-7H2,1-2H3
InChIKeyIMAYKHQAJFAOLP-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.43
Rot. Bonds6

About 4-chloro-5-(hexylamino)-2-methylpyridazin-3-one

4-chloro-5-(hexylamino)-2-methylpyridazin-3-one (PubChem CID 47148918) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 4-chloro-5-(hexylamino)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(hexylamino)-2-methylpyridazin-3-one
PubChem CID47148918
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name4-chloro-5-(hexylamino)-2-methylpyridazin-3-one
SMILESCCCCCCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C11H18ClN3O/c1-3-4-5-6-7-13-9-8-14-15(2)11(16)10(9)12/h8,13H,3-7H2,1-2H3
InChIKeyIMAYKHQAJFAOLP-UHFFFAOYSA-N
XLogP2.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(hexylamino)-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(hexylamino)-2-methylpyridazin-3-one (CID 47148918) is 4-chloro-5-(hexylamino)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(hexylamino)-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(hexylamino)-2-methylpyridazin-3-one is CCCCCCNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(hexylamino)-2-methylpyridazin-3-one?
The InChIKey is IMAYKHQAJFAOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-3-4-5-6-7-13-9-8-14-15(2)11(16)10(9)12/h8,13H,3-7H2,1-2H3.
What are the key properties of 4-chloro-5-(hexylamino)-2-methylpyridazin-3-one?
4-chloro-5-(hexylamino)-2-methylpyridazin-3-one has a molecular weight of 243.74 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(hexylamino)-2-methylpyridazin-3-one is sourced from PubChem (CID 47148918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).