4-(7-methyltridecan-7-yl)pyridazine

C18H32N2 — CID 146508245

IUPAC4-(7-methyltridecan-7-yl)pyridazine
SMILESCCCCCCC(C)(CCCCCC)c1ccnnc1
InChIInChI=1S/C18H32N2/c1-4-6-8-10-13-18(3,14-11-9-7-5-2)17-12-15-19-20-16-17/h12,15-16H,4-11,13-14H2,1-3H3
InChIKeySLQRTXYZYGADIU-UHFFFAOYSA-N
MW276.47 g/mol
LogP5.68
Rot. Bonds11

About 4-(7-methyltridecan-7-yl)pyridazine

4-(7-methyltridecan-7-yl)pyridazine (PubChem CID 146508245) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 4-(7-methyltridecan-7-yl)pyridazine.

Molecular Properties

Compound Name4-(7-methyltridecan-7-yl)pyridazine
PubChem CID146508245
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name4-(7-methyltridecan-7-yl)pyridazine
SMILESCCCCCCC(C)(CCCCCC)c1ccnnc1
InChIInChI=1S/C18H32N2/c1-4-6-8-10-13-18(3,14-11-9-7-5-2)17-12-15-19-20-16-17/h12,15-16H,4-11,13-14H2,1-3H3
InChIKeySLQRTXYZYGADIU-UHFFFAOYSA-N
XLogP5.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methylundecan-5-yl)pyridine
CID 146178387
3-(5-methylnonan-5-yl)pyridine
CID 139543665
2-fluoro-4-(4-methyldecan-4-yl)pyridine
CID 166909360
4-(5-methylundecan-5-yl)-1H-pyrazole
CID 139543634
4-methyl-3-(6-methyldodecan-6-yl)pyridine
CID 134177281
5-(3-methylpentadecan-3-yl)-1,3-oxazole
CID 170549618
3-(2-methyloctan-2-yl)pyridine
CID 126558457
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
2-fluoro-3-(5-methylundecan-5-yl)pyridine
CID 139342335
4-(7-methyltridecan-7-yl)pyrimidine
CID 126624853
3-(6-methylundecan-6-yl)thiophene
CID 129310347
2-(3-methylnonan-3-yl)pyrazine
CID 139342316

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyltridecan-7-yl)pyridazine?
The IUPAC name of 4-(7-methyltridecan-7-yl)pyridazine (CID 146508245) is 4-(7-methyltridecan-7-yl)pyridazine.
What is the SMILES notation for 4-(7-methyltridecan-7-yl)pyridazine?
The canonical SMILES for 4-(7-methyltridecan-7-yl)pyridazine is CCCCCCC(C)(CCCCCC)c1ccnnc1.
What is the InChIKey of 4-(7-methyltridecan-7-yl)pyridazine?
The InChIKey is SLQRTXYZYGADIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-4-6-8-10-13-18(3,14-11-9-7-5-2)17-12-15-19-20-16-17/h12,15-16H,4-11,13-14H2,1-3H3.
What are the key properties of 4-(7-methyltridecan-7-yl)pyridazine?
4-(7-methyltridecan-7-yl)pyridazine has a molecular weight of 276.47 g/mol, XLogP of 5.68, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyltridecan-7-yl)pyridazine is sourced from PubChem (CID 146508245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).