5-[2-(2-ethoxyethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine

C17H26N4O — CID 146039380

IUPAC5-[2-(2-ethoxyethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine
SMILESCCOCCn1nc(CC(C)C)nc1-c1cnc(C)cc1C
InChIInChI=1S/C17H26N4O/c1-6-22-8-7-21-17(19-16(20-21)9-12(2)3)15-11-18-14(5)10-13(15)4/h10-12H,6-9H2,1-5H3
InChIKeySOHWNZGIYXKUDH-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.19
Rot. Bonds7

About 5-[2-(2-ethoxyethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine

5-[2-(2-ethoxyethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine (PubChem CID 146039380) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-[2-(2-ethoxyethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine.

Molecular Properties

Compound Name5-[2-(2-ethoxyethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine
PubChem CID146039380
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name5-[2-(2-ethoxyethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine
SMILESCCOCCn1nc(CC(C)C)nc1-c1cnc(C)cc1C
InChIInChI=1S/C17H26N4O/c1-6-22-8-7-21-17(19-16(20-21)9-12(2)3)15-11-18-14(5)10-13(15)4/h10-12H,6-9H2,1-5H3
InChIKeySOHWNZGIYXKUDH-UHFFFAOYSA-N
XLogP3.19
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 5-[2-(2-ethoxyethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine?
The IUPAC name of 5-[2-(2-ethoxyethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine (CID 146039380) is 5-[2-(2-ethoxyethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine.
What is the SMILES notation for 5-[2-(2-ethoxyethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine?
The canonical SMILES for 5-[2-(2-ethoxyethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine is CCOCCn1nc(CC(C)C)nc1-c1cnc(C)cc1C.
What is the InChIKey of 5-[2-(2-ethoxyethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine?
The InChIKey is SOHWNZGIYXKUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-6-22-8-7-21-17(19-16(20-21)9-12(2)3)15-11-18-14(5)10-13(15)4/h10-12H,6-9H2,1-5H3.
What are the key properties of 5-[2-(2-ethoxyethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine?
5-[2-(2-ethoxyethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine has a molecular weight of 302.42 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethoxyethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine is sourced from PubChem (CID 146039380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).