2-methoxy-6-[1-(3-methoxypropyl)triazol-4-yl]pyridine

C12H16N4O2 — CID 136559302

IUPAC2-methoxy-6-[1-(3-methoxypropyl)triazol-4-yl]pyridine
SMILESCOCCCn1cc(-c2cccc(OC)n2)nn1
InChIInChI=1S/C12H16N4O2/c1-17-8-4-7-16-9-11(14-15-16)10-5-3-6-12(13-10)18-2/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyICUPMIXQWJYLLK-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.39
Rot. Bonds6

About 2-methoxy-6-[1-(3-methoxypropyl)triazol-4-yl]pyridine

2-methoxy-6-[1-(3-methoxypropyl)triazol-4-yl]pyridine (PubChem CID 136559302) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-methoxy-6-[1-(3-methoxypropyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-6-[1-(3-methoxypropyl)triazol-4-yl]pyridine
PubChem CID136559302
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-methoxy-6-[1-(3-methoxypropyl)triazol-4-yl]pyridine
SMILESCOCCCn1cc(-c2cccc(OC)n2)nn1
InChIInChI=1S/C12H16N4O2/c1-17-8-4-7-16-9-11(14-15-16)10-5-3-6-12(13-10)18-2/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyICUPMIXQWJYLLK-UHFFFAOYSA-N
XLogP1.39
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2-methoxy-6-[1-(3-methoxypropyl)triazol-4-yl]pyridine?
The IUPAC name of 2-methoxy-6-[1-(3-methoxypropyl)triazol-4-yl]pyridine (CID 136559302) is 2-methoxy-6-[1-(3-methoxypropyl)triazol-4-yl]pyridine.
What is the SMILES notation for 2-methoxy-6-[1-(3-methoxypropyl)triazol-4-yl]pyridine?
The canonical SMILES for 2-methoxy-6-[1-(3-methoxypropyl)triazol-4-yl]pyridine is COCCCn1cc(-c2cccc(OC)n2)nn1.
What is the InChIKey of 2-methoxy-6-[1-(3-methoxypropyl)triazol-4-yl]pyridine?
The InChIKey is ICUPMIXQWJYLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-17-8-4-7-16-9-11(14-15-16)10-5-3-6-12(13-10)18-2/h3,5-6,9H,4,7-8H2,1-2H3.
What are the key properties of 2-methoxy-6-[1-(3-methoxypropyl)triazol-4-yl]pyridine?
2-methoxy-6-[1-(3-methoxypropyl)triazol-4-yl]pyridine has a molecular weight of 248.29 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[1-(3-methoxypropyl)triazol-4-yl]pyridine is sourced from PubChem (CID 136559302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).