4-chloro-5-imidazol-1-yl-2-pentylpyridazin-3-one

C12H15ClN4O — CID 69188393

IUPAC4-chloro-5-imidazol-1-yl-2-pentylpyridazin-3-one
SMILESCCCCCn1ncc(-n2ccnc2)c(Cl)c1=O
InChIInChI=1S/C12H15ClN4O/c1-2-3-4-6-17-12(18)11(13)10(8-15-17)16-7-5-14-9-16/h5,7-9H,2-4,6H2,1H3
InChIKeyOSGYYHBBJFZRTR-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.27
Rot. Bonds5

About 4-chloro-5-imidazol-1-yl-2-pentylpyridazin-3-one

4-chloro-5-imidazol-1-yl-2-pentylpyridazin-3-one (PubChem CID 69188393) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-chloro-5-imidazol-1-yl-2-pentylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-imidazol-1-yl-2-pentylpyridazin-3-one
PubChem CID69188393
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name4-chloro-5-imidazol-1-yl-2-pentylpyridazin-3-one
SMILESCCCCCn1ncc(-n2ccnc2)c(Cl)c1=O
InChIInChI=1S/C12H15ClN4O/c1-2-3-4-6-17-12(18)11(13)10(8-15-17)16-7-5-14-9-16/h5,7-9H,2-4,6H2,1H3
InChIKeyOSGYYHBBJFZRTR-UHFFFAOYSA-N
XLogP2.27
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-imidazol-1-yl-2-pentylpyridazin-3-one?
The IUPAC name of 4-chloro-5-imidazol-1-yl-2-pentylpyridazin-3-one (CID 69188393) is 4-chloro-5-imidazol-1-yl-2-pentylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-imidazol-1-yl-2-pentylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-imidazol-1-yl-2-pentylpyridazin-3-one is CCCCCn1ncc(-n2ccnc2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-imidazol-1-yl-2-pentylpyridazin-3-one?
The InChIKey is OSGYYHBBJFZRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-2-3-4-6-17-12(18)11(13)10(8-15-17)16-7-5-14-9-16/h5,7-9H,2-4,6H2,1H3.
What are the key properties of 4-chloro-5-imidazol-1-yl-2-pentylpyridazin-3-one?
4-chloro-5-imidazol-1-yl-2-pentylpyridazin-3-one has a molecular weight of 266.73 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-imidazol-1-yl-2-pentylpyridazin-3-one is sourced from PubChem (CID 69188393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).