3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine

C23H35N3 — CID 22412973

IUPAC3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine
SMILESCCCCCCCc1ccc(-c2ccc(CCCCCCC)nn2)nc1
InChIInChI=1S/C23H35N3/c1-3-5-7-9-11-13-20-15-17-22(24-19-20)23-18-16-21(25-26-23)14-12-10-8-6-4-2/h15-19H,3-14H2,1-2H3
InChIKeyCGRLRFNZCYVDMD-UHFFFAOYSA-N
MW353.55 g/mol
LogP6.56
Rot. Bonds13

About 3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine

3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine (PubChem CID 22412973) has the molecular formula C23H35N3 and a molecular weight of 353.55 g/mol. Its IUPAC name is 3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine.

Molecular Properties

Compound Name3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine
PubChem CID22412973
Molecular FormulaC23H35N3
Molecular Weight353.55 g/mol
Exact Mass353.28
IUPAC Name3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine
SMILESCCCCCCCc1ccc(-c2ccc(CCCCCCC)nn2)nc1
InChIInChI=1S/C23H35N3/c1-3-5-7-9-11-13-20-15-17-22(24-19-20)23-18-16-21(25-26-23)14-12-10-8-6-4-2/h15-19H,3-14H2,1-2H3
InChIKeyCGRLRFNZCYVDMD-UHFFFAOYSA-N
XLogP6.56
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
CID 14048482
3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine
CID 22412964
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2,5-bis[5-(4-hexoxybutyl)-2-pyridinyl]pyrazine
CID 22412878
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622
3-(4-decylphenyl)-6-propylpyridazine
CID 13360938
5-heptyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139621561
4-(5-nonyl-2-pyridinyl)phenol
CID 135627063
5-octyl-2-[4-(5-octyl-2-pyridinyl)phenyl]pyrimidine
CID 139621541

Frequently Asked Questions

What is the IUPAC name of 3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine?
The IUPAC name of 3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine (CID 22412973) is 3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine.
What is the SMILES notation for 3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine?
The canonical SMILES for 3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine is CCCCCCCc1ccc(-c2ccc(CCCCCCC)nn2)nc1.
What is the InChIKey of 3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine?
The InChIKey is CGRLRFNZCYVDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3/c1-3-5-7-9-11-13-20-15-17-22(24-19-20)23-18-16-21(25-26-23)14-12-10-8-6-4-2/h15-19H,3-14H2,1-2H3.
What are the key properties of 3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine?
3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine has a molecular weight of 353.55 g/mol, XLogP of 6.56, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine is sourced from PubChem (CID 22412973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).