3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

C24H25N3O2 — CID 134179263

IUPAC3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)Oc1ccc(-c2ccc3nnc(-c4ccc(OC(C)C)cc4)n3c2)cc1
InChIInChI=1S/C24H25N3O2/c1-16(2)28-21-10-5-18(6-11-21)20-9-14-23-25-26-24(27(23)15-20)19-7-12-22(13-8-19)29-17(3)4/h5-17H,1-4H3
InChIKeyNLNRHPDJTJECFA-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.64
Rot. Bonds6

About 3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 134179263) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID134179263
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)Oc1ccc(-c2ccc3nnc(-c4ccc(OC(C)C)cc4)n3c2)cc1
InChIInChI=1S/C24H25N3O2/c1-16(2)28-21-10-5-18(6-11-21)20-9-14-23-25-26-24(27(23)15-20)19-7-12-22(13-8-19)29-17(3)4/h5-17H,1-4H3
InChIKeyNLNRHPDJTJECFA-UHFFFAOYSA-N
XLogP5.64
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 134179263) is 3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is CC(C)Oc1ccc(-c2ccc3nnc(-c4ccc(OC(C)C)cc4)n3c2)cc1.
What is the InChIKey of 3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is NLNRHPDJTJECFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-16(2)28-21-10-5-18(6-11-21)20-9-14-23-25-26-24(27(23)15-20)19-7-12-22(13-8-19)29-17(3)4/h5-17H,1-4H3.
What are the key properties of 3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 387.48 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 134179263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).