2-[1-[4-[4-(1,2,4-triazol-1-yl)phenoxy]phenoxy]propan-2-yloxy]pyridine

C22H20N4O3 — CID 155936378

IUPAC2-[1-[4-[4-(1,2,4-triazol-1-yl)phenoxy]phenoxy]propan-2-yloxy]pyridine
SMILESCC(COc1ccc(Oc2ccc(-n3cncn3)cc2)cc1)Oc1ccccn1
InChIInChI=1S/C22H20N4O3/c1-17(28-22-4-2-3-13-24-22)14-27-19-9-11-21(12-10-19)29-20-7-5-18(6-8-20)26-16-23-15-25-26/h2-13,15-17H,14H2,1H3
InChIKeyCMJWHLDZVQIYCX-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.30
Rot. Bonds8

About 2-[1-[4-[4-(1,2,4-triazol-1-yl)phenoxy]phenoxy]propan-2-yloxy]pyridine

2-[1-[4-[4-(1,2,4-triazol-1-yl)phenoxy]phenoxy]propan-2-yloxy]pyridine (PubChem CID 155936378) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[1-[4-[4-(1,2,4-triazol-1-yl)phenoxy]phenoxy]propan-2-yloxy]pyridine.

Molecular Properties

Compound Name2-[1-[4-[4-(1,2,4-triazol-1-yl)phenoxy]phenoxy]propan-2-yloxy]pyridine
PubChem CID155936378
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name2-[1-[4-[4-(1,2,4-triazol-1-yl)phenoxy]phenoxy]propan-2-yloxy]pyridine
SMILESCC(COc1ccc(Oc2ccc(-n3cncn3)cc2)cc1)Oc1ccccn1
InChIInChI=1S/C22H20N4O3/c1-17(28-22-4-2-3-13-24-22)14-27-19-9-11-21(12-10-19)29-20-7-5-18(6-8-20)26-16-23-15-25-26/h2-13,15-17H,14H2,1H3
InChIKeyCMJWHLDZVQIYCX-UHFFFAOYSA-N
XLogP4.30
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[4-(1,2,4-triazol-1-yl)phenoxy]phenoxy]propan-2-yloxy]pyridine?
The IUPAC name of 2-[1-[4-[4-(1,2,4-triazol-1-yl)phenoxy]phenoxy]propan-2-yloxy]pyridine (CID 155936378) is 2-[1-[4-[4-(1,2,4-triazol-1-yl)phenoxy]phenoxy]propan-2-yloxy]pyridine.
What is the SMILES notation for 2-[1-[4-[4-(1,2,4-triazol-1-yl)phenoxy]phenoxy]propan-2-yloxy]pyridine?
The canonical SMILES for 2-[1-[4-[4-(1,2,4-triazol-1-yl)phenoxy]phenoxy]propan-2-yloxy]pyridine is CC(COc1ccc(Oc2ccc(-n3cncn3)cc2)cc1)Oc1ccccn1.
What is the InChIKey of 2-[1-[4-[4-(1,2,4-triazol-1-yl)phenoxy]phenoxy]propan-2-yloxy]pyridine?
The InChIKey is CMJWHLDZVQIYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-17(28-22-4-2-3-13-24-22)14-27-19-9-11-21(12-10-19)29-20-7-5-18(6-8-20)26-16-23-15-25-26/h2-13,15-17H,14H2,1H3.
What are the key properties of 2-[1-[4-[4-(1,2,4-triazol-1-yl)phenoxy]phenoxy]propan-2-yloxy]pyridine?
2-[1-[4-[4-(1,2,4-triazol-1-yl)phenoxy]phenoxy]propan-2-yloxy]pyridine has a molecular weight of 388.43 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[4-(1,2,4-triazol-1-yl)phenoxy]phenoxy]propan-2-yloxy]pyridine is sourced from PubChem (CID 155936378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).