3-(4-butoxybutoxy)-6-(6-heptyl-3-pyridinyl)pyridazine

C24H37N3O2 — CID 22412684

IUPAC3-(4-butoxybutoxy)-6-(6-heptyl-3-pyridinyl)pyridazine
SMILESCCCCCCCc1ccc(-c2ccc(OCCCCOCCCC)nn2)cn1
InChIInChI=1S/C24H37N3O2/c1-3-5-7-8-9-12-22-14-13-21(20-25-22)23-15-16-24(27-26-23)29-19-11-10-18-28-17-6-4-2/h13-16,20H,3-12,17-19H2,1-2H3
InChIKeyNSPPQNNDENOQOA-UHFFFAOYSA-N
MW399.58 g/mol
LogP6.03
Rot. Bonds16

About 3-(4-butoxybutoxy)-6-(6-heptyl-3-pyridinyl)pyridazine

3-(4-butoxybutoxy)-6-(6-heptyl-3-pyridinyl)pyridazine (PubChem CID 22412684) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 3-(4-butoxybutoxy)-6-(6-heptyl-3-pyridinyl)pyridazine.

Molecular Properties

Compound Name3-(4-butoxybutoxy)-6-(6-heptyl-3-pyridinyl)pyridazine
PubChem CID22412684
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name3-(4-butoxybutoxy)-6-(6-heptyl-3-pyridinyl)pyridazine
SMILESCCCCCCCc1ccc(-c2ccc(OCCCCOCCCC)nn2)cn1
InChIInChI=1S/C24H37N3O2/c1-3-5-7-8-9-12-22-14-13-21(20-25-22)23-15-16-24(27-26-23)29-19-11-10-18-28-17-6-4-2/h13-16,20H,3-12,17-19H2,1-2H3
InChIKeyNSPPQNNDENOQOA-UHFFFAOYSA-N
XLogP6.03
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5-heptyl-2-pyridinyl)-6-(4-hexoxybutyl)pyridazine
CID 22412895
3-[4-[2-(4-decoxyphenyl)ethynyl]phenyl]-6-dodecoxypyridazine
CID 101460428
3-pentoxy-6-phenylpyridazine
CID 19760650
2-(4-butoxybutoxy)-5-[6-(4-butoxybutoxy)-3-pyridinyl]pyrazine
CID 22412891
7-[4-(6-pentylpyridazin-3-yl)phenoxy]heptyl acetate
CID 21049744
5-decoxy-2-(6-nonyl-3-pyridinyl)pyrimidine
CID 139617180
3,6-bis(4-decoxyphenyl)pyridazine
CID 101171713
3-hexyl-6-[4-[3-[(2S)-2-methylbutoxy]propoxy]phenyl]pyridazine
CID 54283089
2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine
CID 18632504
3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-6-heptoxypyridazine
CID 15085080
3-[3-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-hexoxypyridazine
CID 139778571
3-[4-[2-(4-butylcyclohexyl)ethyl]-3-fluorophenyl]-6-heptoxypyridazine
CID 139778675

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxybutoxy)-6-(6-heptyl-3-pyridinyl)pyridazine?
The IUPAC name of 3-(4-butoxybutoxy)-6-(6-heptyl-3-pyridinyl)pyridazine (CID 22412684) is 3-(4-butoxybutoxy)-6-(6-heptyl-3-pyridinyl)pyridazine.
What is the SMILES notation for 3-(4-butoxybutoxy)-6-(6-heptyl-3-pyridinyl)pyridazine?
The canonical SMILES for 3-(4-butoxybutoxy)-6-(6-heptyl-3-pyridinyl)pyridazine is CCCCCCCc1ccc(-c2ccc(OCCCCOCCCC)nn2)cn1.
What is the InChIKey of 3-(4-butoxybutoxy)-6-(6-heptyl-3-pyridinyl)pyridazine?
The InChIKey is NSPPQNNDENOQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-3-5-7-8-9-12-22-14-13-21(20-25-22)23-15-16-24(27-26-23)29-19-11-10-18-28-17-6-4-2/h13-16,20H,3-12,17-19H2,1-2H3.
What are the key properties of 3-(4-butoxybutoxy)-6-(6-heptyl-3-pyridinyl)pyridazine?
3-(4-butoxybutoxy)-6-(6-heptyl-3-pyridinyl)pyridazine has a molecular weight of 399.58 g/mol, XLogP of 6.03, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxybutoxy)-6-(6-heptyl-3-pyridinyl)pyridazine is sourced from PubChem (CID 22412684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).