8-ethyl-5-methyl-2-[2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C22H26N6 — CID 53250989

IUPAC8-ethyl-5-methyl-2-[2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1ccc(C)n2nc(CCc3nc(-c4ccccc4)nn3C(C)C)nc12
InChIInChI=1S/C22H26N6/c1-5-17-12-11-16(4)28-22(17)23-19(25-28)13-14-20-24-21(26-27(20)15(2)3)18-9-7-6-8-10-18/h6-12,15H,5,13-14H2,1-4H3
InChIKeyAGHGIMIHUHGBKO-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.22
Rot. Bonds6

About 8-ethyl-5-methyl-2-[2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

8-ethyl-5-methyl-2-[2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53250989) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 8-ethyl-5-methyl-2-[2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-ethyl-5-methyl-2-[2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53250989
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name8-ethyl-5-methyl-2-[2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1ccc(C)n2nc(CCc3nc(-c4ccccc4)nn3C(C)C)nc12
InChIInChI=1S/C22H26N6/c1-5-17-12-11-16(4)28-22(17)23-19(25-28)13-14-20-24-21(26-27(20)15(2)3)18-9-7-6-8-10-18/h6-12,15H,5,13-14H2,1-4H3
InChIKeyAGHGIMIHUHGBKO-UHFFFAOYSA-N
XLogP4.22
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-5-methyl-2-[2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-ethyl-5-methyl-2-[2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 53250989) is 8-ethyl-5-methyl-2-[2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-ethyl-5-methyl-2-[2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-ethyl-5-methyl-2-[2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is CCc1ccc(C)n2nc(CCc3nc(-c4ccccc4)nn3C(C)C)nc12.
What is the InChIKey of 8-ethyl-5-methyl-2-[2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is AGHGIMIHUHGBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-5-17-12-11-16(4)28-22(17)23-19(25-28)13-14-20-24-21(26-27(20)15(2)3)18-9-7-6-8-10-18/h6-12,15H,5,13-14H2,1-4H3.
What are the key properties of 8-ethyl-5-methyl-2-[2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-ethyl-5-methyl-2-[2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 374.49 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-5-methyl-2-[2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53250989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).