7-[5-(2-methoxyethyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine

C20H28N4O — CID 167918172

IUPAC7-[5-(2-methoxyethyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCOCCc1nc(C2CCN3CCCC3C2)n(-c2ccc(C)cc2)n1
InChIInChI=1S/C20H28N4O/c1-15-5-7-17(8-6-15)24-20(21-19(22-24)10-13-25-2)16-9-12-23-11-3-4-18(23)14-16/h5-8,16,18H,3-4,9-14H2,1-2H3
InChIKeyCWHNRVZBRUGQEQ-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.11
Rot. Bonds5

About 7-[5-(2-methoxyethyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine

7-[5-(2-methoxyethyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 167918172) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 7-[5-(2-methoxyethyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name7-[5-(2-methoxyethyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID167918172
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name7-[5-(2-methoxyethyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCOCCc1nc(C2CCN3CCCC3C2)n(-c2ccc(C)cc2)n1
InChIInChI=1S/C20H28N4O/c1-15-5-7-17(8-6-15)24-20(21-19(22-24)10-13-25-2)16-9-12-23-11-3-4-18(23)14-16/h5-8,16,18H,3-4,9-14H2,1-2H3
InChIKeyCWHNRVZBRUGQEQ-UHFFFAOYSA-N
XLogP3.11
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(2-methoxyethyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 7-[5-(2-methoxyethyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 167918172) is 7-[5-(2-methoxyethyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 7-[5-(2-methoxyethyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 7-[5-(2-methoxyethyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine is COCCc1nc(C2CCN3CCCC3C2)n(-c2ccc(C)cc2)n1.
What is the InChIKey of 7-[5-(2-methoxyethyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is CWHNRVZBRUGQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15-5-7-17(8-6-15)24-20(21-19(22-24)10-13-25-2)16-9-12-23-11-3-4-18(23)14-16/h5-8,16,18H,3-4,9-14H2,1-2H3.
What are the key properties of 7-[5-(2-methoxyethyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
7-[5-(2-methoxyethyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 340.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(2-methoxyethyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 167918172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).