4-(4-propan-2-yloxybutylamino)-1H-pyridazin-6-one

C11H19N3O2 — CID 106016840

IUPAC4-(4-propan-2-yloxybutylamino)-1H-pyridazin-6-one
SMILESCC(C)OCCCCNc1cn[nH]c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-9(2)16-6-4-3-5-12-10-7-11(15)14-13-8-10/h7-9H,3-6H2,1-2H3,(H2,12,14,15)
InChIKeyFHFHDMSELMNFJI-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.39
Rot. Bonds7

About 4-(4-propan-2-yloxybutylamino)-1H-pyridazin-6-one

4-(4-propan-2-yloxybutylamino)-1H-pyridazin-6-one (PubChem CID 106016840) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(4-propan-2-yloxybutylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(4-propan-2-yloxybutylamino)-1H-pyridazin-6-one
PubChem CID106016840
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(4-propan-2-yloxybutylamino)-1H-pyridazin-6-one
SMILESCC(C)OCCCCNc1cn[nH]c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-9(2)16-6-4-3-5-12-10-7-11(15)14-13-8-10/h7-9H,3-6H2,1-2H3,(H2,12,14,15)
InChIKeyFHFHDMSELMNFJI-UHFFFAOYSA-N
XLogP1.39
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.39
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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Related Compounds

4-(3-methylbutylamino)-1H-pyridazin-6-one
CID 114391891
4-(2-ethoxyethylamino)-1H-pyridazin-6-one
CID 114391849
4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one
CID 114392088
4-(cyclopropylmethylamino)-1H-pyridazin-6-one
CID 114391872
2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883380
4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
CID 114392438
3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106012540
5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 104844363
4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one
CID 136779988
5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 104925322
4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one
CID 114392071
5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine
CID 106012460

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yloxybutylamino)-1H-pyridazin-6-one?
The IUPAC name of 4-(4-propan-2-yloxybutylamino)-1H-pyridazin-6-one (CID 106016840) is 4-(4-propan-2-yloxybutylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(4-propan-2-yloxybutylamino)-1H-pyridazin-6-one?
The canonical SMILES for 4-(4-propan-2-yloxybutylamino)-1H-pyridazin-6-one is CC(C)OCCCCNc1cn[nH]c(=O)c1.
What is the InChIKey of 4-(4-propan-2-yloxybutylamino)-1H-pyridazin-6-one?
The InChIKey is FHFHDMSELMNFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(2)16-6-4-3-5-12-10-7-11(15)14-13-8-10/h7-9H,3-6H2,1-2H3,(H2,12,14,15).
What are the key properties of 4-(4-propan-2-yloxybutylamino)-1H-pyridazin-6-one?
4-(4-propan-2-yloxybutylamino)-1H-pyridazin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yloxybutylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 106016840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).