3-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-6-methylpyridazine

C18H22N6O — CID 15954642

IUPAC3-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-6-methylpyridazine
SMILESCc1ccc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)nn1
InChIInChI=1S/C18H22N6O/c1-12-10-15(18-21-23-24(4)22-18)11-13(2)17(12)25-9-5-6-16-8-7-14(3)19-20-16/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyHLMOULYBJXFHFQ-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.60
Rot. Bonds6

About 3-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-6-methylpyridazine

3-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-6-methylpyridazine (PubChem CID 15954642) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 3-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-6-methylpyridazine
PubChem CID15954642
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name3-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-6-methylpyridazine
SMILESCc1ccc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)nn1
InChIInChI=1S/C18H22N6O/c1-12-10-15(18-21-23-24(4)22-18)11-13(2)17(12)25-9-5-6-16-8-7-14(3)19-20-16/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyHLMOULYBJXFHFQ-UHFFFAOYSA-N
XLogP2.60
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-6-methylpyridazine?
The IUPAC name of 3-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-6-methylpyridazine (CID 15954642) is 3-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-6-methylpyridazine.
What is the SMILES notation for 3-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-6-methylpyridazine?
The canonical SMILES for 3-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-6-methylpyridazine is Cc1ccc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)nn1.
What is the InChIKey of 3-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-6-methylpyridazine?
The InChIKey is HLMOULYBJXFHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12-10-15(18-21-23-24(4)22-18)11-13(2)17(12)25-9-5-6-16-8-7-14(3)19-20-16/h7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of 3-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-6-methylpyridazine?
3-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-6-methylpyridazine has a molecular weight of 338.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-6-methylpyridazine is sourced from PubChem (CID 15954642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).