4-[3-[2-(2-ethoxyethoxy)ethyl]-5-(4-fluorophenyl)triazol-4-yl]pyridine

C19H21FN4O2 — CID 10291779

IUPAC4-[3-[2-(2-ethoxyethoxy)ethyl]-5-(4-fluorophenyl)triazol-4-yl]pyridine
SMILESCCOCCOCCn1nnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C19H21FN4O2/c1-2-25-13-14-26-12-11-24-19(16-7-9-21-10-8-16)18(22-23-24)15-3-5-17(20)6-4-15/h3-10H,2,11-14H2,1H3
InChIKeySWAJRNSOBVNOBD-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.20
Rot. Bonds9

About 4-[3-[2-(2-ethoxyethoxy)ethyl]-5-(4-fluorophenyl)triazol-4-yl]pyridine

4-[3-[2-(2-ethoxyethoxy)ethyl]-5-(4-fluorophenyl)triazol-4-yl]pyridine (PubChem CID 10291779) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-[3-[2-(2-ethoxyethoxy)ethyl]-5-(4-fluorophenyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-[2-(2-ethoxyethoxy)ethyl]-5-(4-fluorophenyl)triazol-4-yl]pyridine
PubChem CID10291779
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name4-[3-[2-(2-ethoxyethoxy)ethyl]-5-(4-fluorophenyl)triazol-4-yl]pyridine
SMILESCCOCCOCCn1nnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C19H21FN4O2/c1-2-25-13-14-26-12-11-24-19(16-7-9-21-10-8-16)18(22-23-24)15-3-5-17(20)6-4-15/h3-10H,2,11-14H2,1H3
InChIKeySWAJRNSOBVNOBD-UHFFFAOYSA-N
XLogP3.20
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.20
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 4-[3-[2-(2-ethoxyethoxy)ethyl]-5-(4-fluorophenyl)triazol-4-yl]pyridine?
The IUPAC name of 4-[3-[2-(2-ethoxyethoxy)ethyl]-5-(4-fluorophenyl)triazol-4-yl]pyridine (CID 10291779) is 4-[3-[2-(2-ethoxyethoxy)ethyl]-5-(4-fluorophenyl)triazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-[2-(2-ethoxyethoxy)ethyl]-5-(4-fluorophenyl)triazol-4-yl]pyridine?
The canonical SMILES for 4-[3-[2-(2-ethoxyethoxy)ethyl]-5-(4-fluorophenyl)triazol-4-yl]pyridine is CCOCCOCCn1nnc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 4-[3-[2-(2-ethoxyethoxy)ethyl]-5-(4-fluorophenyl)triazol-4-yl]pyridine?
The InChIKey is SWAJRNSOBVNOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-2-25-13-14-26-12-11-24-19(16-7-9-21-10-8-16)18(22-23-24)15-3-5-17(20)6-4-15/h3-10H,2,11-14H2,1H3.
What are the key properties of 4-[3-[2-(2-ethoxyethoxy)ethyl]-5-(4-fluorophenyl)triazol-4-yl]pyridine?
4-[3-[2-(2-ethoxyethoxy)ethyl]-5-(4-fluorophenyl)triazol-4-yl]pyridine has a molecular weight of 356.40 g/mol, XLogP of 3.20, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2-ethoxyethoxy)ethyl]-5-(4-fluorophenyl)triazol-4-yl]pyridine is sourced from PubChem (CID 10291779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).