3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine

C28H43N3 — CID 22412964

IUPAC3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine
SMILESCCCCCCCc1ccc(-c2ccc(CCCCCCCCCC3CC3)nn2)nc1
InChIInChI=1S/C28H43N3/c1-2-3-4-8-12-15-25-19-21-27(29-23-25)28-22-20-26(30-31-28)16-13-10-7-5-6-9-11-14-24-17-18-24/h19-24H,2-18H2,1H3
InChIKeyHKAQRRLDWYMZAW-UHFFFAOYSA-N
MW421.67 g/mol
LogP8.12
Rot. Bonds17

About 3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine

3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine (PubChem CID 22412964) has the molecular formula C28H43N3 and a molecular weight of 421.67 g/mol. Its IUPAC name is 3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine.

Molecular Properties

Compound Name3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine
PubChem CID22412964
Molecular FormulaC28H43N3
Molecular Weight421.67 g/mol
Exact Mass421.35
IUPAC Name3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine
SMILESCCCCCCCc1ccc(-c2ccc(CCCCCCCCCC3CC3)nn2)nc1
InChIInChI=1S/C28H43N3/c1-2-3-4-8-12-15-25-19-21-27(29-23-25)28-22-20-26(30-31-28)16-13-10-7-5-6-9-11-14-24-17-18-24/h19-24H,2-18H2,1H3
InChIKeyHKAQRRLDWYMZAW-UHFFFAOYSA-N
XLogP8.12
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.67
LogP ≤ 58.12
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-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine
CID 22412973
3-(5-heptyl-2-pyridinyl)-6-(4-hexoxybutyl)pyridazine
CID 22412895
5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424950
5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424953
5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424949
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
CID 139778801
3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine
CID 139778532
3-[2-(4-butylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
CID 139778747
5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
CID 14048482
3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
CID 139778999
2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
CID 14474661

Frequently Asked Questions

What is the IUPAC name of 3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine?
The IUPAC name of 3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine (CID 22412964) is 3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine.
What is the SMILES notation for 3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine?
The canonical SMILES for 3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine is CCCCCCCc1ccc(-c2ccc(CCCCCCCCCC3CC3)nn2)nc1.
What is the InChIKey of 3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine?
The InChIKey is HKAQRRLDWYMZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N3/c1-2-3-4-8-12-15-25-19-21-27(29-23-25)28-22-20-26(30-31-28)16-13-10-7-5-6-9-11-14-24-17-18-24/h19-24H,2-18H2,1H3.
What are the key properties of 3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine?
3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine has a molecular weight of 421.67 g/mol, XLogP of 8.12, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine is sourced from PubChem (CID 22412964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).