1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide

C15H25N3O3 — CID 103862339

IUPAC1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCCCC(C)CO)ccc1=O
InChIInChI=1S/C15H25N3O3/c1-3-4-10-18-14(20)8-7-13(17-18)15(21)16-9-5-6-12(2)11-19/h7-8,12,19H,3-6,9-11H2,1-2H3,(H,16,21)
InChIKeyQRJQWZXEGFWTNU-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.18
Rot. Bonds9

About 1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide (PubChem CID 103862339) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide
PubChem CID103862339
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCCCC(C)CO)ccc1=O
InChIInChI=1S/C15H25N3O3/c1-3-4-10-18-14(20)8-7-13(17-18)15(21)16-9-5-6-12(2)11-19/h7-8,12,19H,3-6,9-11H2,1-2H3,(H,16,21)
InChIKeyQRJQWZXEGFWTNU-UHFFFAOYSA-N
XLogP1.18
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
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 1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide (CID 103862339) is 1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NCCCC(C)CO)ccc1=O.
What is the InChIKey of 1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is QRJQWZXEGFWTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-4-10-18-14(20)8-7-13(17-18)15(21)16-9-5-6-12(2)11-19/h7-8,12,19H,3-6,9-11H2,1-2H3,(H,16,21).
What are the key properties of 1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 103862339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).