6-fluoro-3-methyl-4-(3-methylnonan-3-yl)pyridazine

C15H25FN2 — CID 146377703

IUPAC6-fluoro-3-methyl-4-(3-methylnonan-3-yl)pyridazine
SMILESCCCCCCC(C)(CC)c1cc(F)nnc1C
InChIInChI=1S/C15H25FN2/c1-5-7-8-9-10-15(4,6-2)13-11-14(16)18-17-12(13)3/h11H,5-10H2,1-4H3
InChIKeyQSHPHUQRQMNQKL-UHFFFAOYSA-N
MW252.38 g/mol
LogP4.56
Rot. Bonds7

About 6-fluoro-3-methyl-4-(3-methylnonan-3-yl)pyridazine

6-fluoro-3-methyl-4-(3-methylnonan-3-yl)pyridazine (PubChem CID 146377703) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 6-fluoro-3-methyl-4-(3-methylnonan-3-yl)pyridazine.

Molecular Properties

Compound Name6-fluoro-3-methyl-4-(3-methylnonan-3-yl)pyridazine
PubChem CID146377703
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name6-fluoro-3-methyl-4-(3-methylnonan-3-yl)pyridazine
SMILESCCCCCCC(C)(CC)c1cc(F)nnc1C
InChIInChI=1S/C15H25FN2/c1-5-7-8-9-10-15(4,6-2)13-11-14(16)18-17-12(13)3/h11H,5-10H2,1-4H3
InChIKeyQSHPHUQRQMNQKL-UHFFFAOYSA-N
XLogP4.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 54.56
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

6-Methyl-3,4-diphenylpyridazine
CID 6411990
4-Methyl-3,6-bis(trifluoromethyl)pyridazine
CID 71374916
3-Methyl-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 10537871
3,6-Bis(p-fluorophenyl)pyridazine
CID 85621692
Pyridazine, 3,4,6-trimethyl-
CID 12440100
4,5-Diazaindan, 6-methyl-
CID 59271921
Cinnoline, 5,6,7,8-tetrahydro-3-methyl-
CID 59271933
Pyridazine, 4-ethyl-3,6-dimethyl-
CID 143818473
4-Tert-butyl-3-chloro-6-methylpyridazine
CID 15054336
1,4-Dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
CID 90182986
1,2-Diazabenzocycloheptane, 3-methyl-
CID 101878952
3-Methyl-6-(1,2,2-trimethylcyclopentyl)pyridazine
CID 86178150

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-4-(3-methylnonan-3-yl)pyridazine?
The IUPAC name of 6-fluoro-3-methyl-4-(3-methylnonan-3-yl)pyridazine (CID 146377703) is 6-fluoro-3-methyl-4-(3-methylnonan-3-yl)pyridazine.
What is the SMILES notation for 6-fluoro-3-methyl-4-(3-methylnonan-3-yl)pyridazine?
The canonical SMILES for 6-fluoro-3-methyl-4-(3-methylnonan-3-yl)pyridazine is CCCCCCC(C)(CC)c1cc(F)nnc1C.
What is the InChIKey of 6-fluoro-3-methyl-4-(3-methylnonan-3-yl)pyridazine?
The InChIKey is QSHPHUQRQMNQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-5-7-8-9-10-15(4,6-2)13-11-14(16)18-17-12(13)3/h11H,5-10H2,1-4H3.
What are the key properties of 6-fluoro-3-methyl-4-(3-methylnonan-3-yl)pyridazine?
6-fluoro-3-methyl-4-(3-methylnonan-3-yl)pyridazine has a molecular weight of 252.38 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-4-(3-methylnonan-3-yl)pyridazine is sourced from PubChem (CID 146377703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).