4-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]butanamide

C10H15ClN4O — CID 63271549

IUPAC4-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]butanamide
SMILESCc1c(Cl)nnc(NCCCC(N)=O)c1C
InChIInChI=1S/C10H15ClN4O/c1-6-7(2)10(15-14-9(6)11)13-5-3-4-8(12)16/h3-5H2,1-2H3,(H2,12,16)(H,13,15)
InChIKeyPZGFATZUBUQUMV-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.42
Rot. Bonds5

About 4-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]butanamide

4-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]butanamide (PubChem CID 63271549) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]butanamide
PubChem CID63271549
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name4-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]butanamide
SMILESCc1c(Cl)nnc(NCCCC(N)=O)c1C
InChIInChI=1S/C10H15ClN4O/c1-6-7(2)10(15-14-9(6)11)13-5-3-4-8(12)16/h3-5H2,1-2H3,(H2,12,16)(H,13,15)
InChIKeyPZGFATZUBUQUMV-UHFFFAOYSA-N
XLogP1.42
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.42
H-Bond Donors ≤ 52
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-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]butanamide?
The IUPAC name of 4-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]butanamide (CID 63271549) is 4-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]butanamide.
What is the SMILES notation for 4-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]butanamide?
The canonical SMILES for 4-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]butanamide is Cc1c(Cl)nnc(NCCCC(N)=O)c1C.
What is the InChIKey of 4-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]butanamide?
The InChIKey is PZGFATZUBUQUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-6-7(2)10(15-14-9(6)11)13-5-3-4-8(12)16/h3-5H2,1-2H3,(H2,12,16)(H,13,15).
What are the key properties of 4-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]butanamide?
4-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]butanamide has a molecular weight of 242.71 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]butanamide is sourced from PubChem (CID 63271549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).