[4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone

C13H21N5O — CID 104668899

IUPAC[4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone
SMILESNCCCCN1CCN(C(=O)c2ccnnc2)CC1
InChIInChI=1S/C13H21N5O/c14-4-1-2-6-17-7-9-18(10-8-17)13(19)12-3-5-15-16-11-12/h3,5,11H,1-2,4,6-10,14H2
InChIKeySXVRIHLLGFGRDU-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.03
Rot. Bonds5

About [4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone

[4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 104668899) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is [4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone
PubChem CID104668899
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name[4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone
SMILESNCCCCN1CCN(C(=O)c2ccnnc2)CC1
InChIInChI=1S/C13H21N5O/c14-4-1-2-6-17-7-9-18(10-8-17)13(19)12-3-5-15-16-11-12/h3,5,11H,1-2,4,6-10,14H2
InChIKeySXVRIHLLGFGRDU-UHFFFAOYSA-N
XLogP-0.03
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-aminobutyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 43251908
[4-(5-aminopentyl)piperazin-1-yl]-pyrimidin-5-ylmethanone
CID 102921171
[4-(4-aminobutyl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 104785306
methyl 3-[4-(pyridazine-4-carbonyl)piperazin-1-yl]propanoate
CID 115769373
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
[4-(4-aminobutyl)piperazin-1-yl]-(3,5-difluorophenyl)methanone
CID 43251809
[4-(4-aminobutyl)piperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 63209284
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(3-hydroxyphenyl)methanone
CID 43251888
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 104637931
[4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43251796

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone (CID 104668899) is [4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone is NCCCCN1CCN(C(=O)c2ccnnc2)CC1.
What is the InChIKey of [4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is SXVRIHLLGFGRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c14-4-1-2-6-17-7-9-18(10-8-17)13(19)12-3-5-15-16-11-12/h3,5,11H,1-2,4,6-10,14H2.
What are the key properties of [4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone?
[4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 263.34 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 104668899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).