3-pentylpyridazine;piperazine

C13H24N4 — CID 69210510

IUPAC3-pentylpyridazine;piperazine
SMILESC1CNCCN1.CCCCCc1cccnn1
InChIInChI=1S/C9H14N2.C4H10N2/c1-2-3-4-6-9-7-5-8-10-11-9;1-2-6-4-3-5-1/h5,7-8H,2-4,6H2,1H3;5-6H,1-4H2
InChIKeyRVEIFTUBLJNXND-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.39
Rot. Bonds4

About 3-pentylpyridazine;piperazine

3-pentylpyridazine;piperazine (PubChem CID 69210510) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-pentylpyridazine;piperazine.

Molecular Properties

Compound Name3-pentylpyridazine;piperazine
PubChem CID69210510
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3-pentylpyridazine;piperazine
SMILESC1CNCCN1.CCCCCc1cccnn1
InChIInChI=1S/C9H14N2.C4H10N2/c1-2-3-4-6-9-7-5-8-10-11-9;1-2-6-4-3-5-1/h5,7-8H,2-4,6H2,1H3;5-6H,1-4H2
InChIKeyRVEIFTUBLJNXND-UHFFFAOYSA-N
XLogP1.39
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
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

3-butylpyridazine;hydrochloride
CID 121232273
methanone;2-methylpropane;3-propylpyridazine;ruthenium(3+)
CID 169317298
chromium;2-pentylpyridine;hydrochloride
CID 175220071
2,6-dipentylpyridine
CID 58097448
2,6-didodecylpyridine
CID 90943274
N-(pyridazin-3-ylmethyl)heptan-2-amine
CID 106895304
2-undecylpyridine
CID 66882765
2-tetradecylpyridine;hydrochloride
CID 45489746
2-hexadecylpyridine;hydrate
CID 141211108
ethanesulfonic acid;2-pyridazin-3-ylethanol
CID 158922440
ethanesulfinic acid;2-pyridazin-3-ylethanol
CID 175574452
azanium;2-tetradecylpyridine;bromide
CID 157411341

Frequently Asked Questions

What is the IUPAC name of 3-pentylpyridazine;piperazine?
The IUPAC name of 3-pentylpyridazine;piperazine (CID 69210510) is 3-pentylpyridazine;piperazine.
What is the SMILES notation for 3-pentylpyridazine;piperazine?
The canonical SMILES for 3-pentylpyridazine;piperazine is C1CNCCN1.CCCCCc1cccnn1.
What is the InChIKey of 3-pentylpyridazine;piperazine?
The InChIKey is RVEIFTUBLJNXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C4H10N2/c1-2-3-4-6-9-7-5-8-10-11-9;1-2-6-4-3-5-1/h5,7-8H,2-4,6H2,1H3;5-6H,1-4H2.
What are the key properties of 3-pentylpyridazine;piperazine?
3-pentylpyridazine;piperazine has a molecular weight of 236.36 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentylpyridazine;piperazine is sourced from PubChem (CID 69210510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).