2,3-dihydro-1H-inden-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

C18H22N4O2 — CID 71928768

IUPAC2,3-dihydro-1H-inden-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCc1nc(C2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)n[nH]1
InChIInChI=1S/C18H22N4O2/c1-2-16-19-17(21-20-16)15-11-22(8-9-24-15)18(23)14-7-6-12-4-3-5-13(12)10-14/h6-7,10,15H,2-5,8-9,11H2,1H3,(H,19,20,21)
InChIKeyRGNDHHMJJYILLW-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.07
Rot. Bonds3

About 2,3-dihydro-1H-inden-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

2,3-dihydro-1H-inden-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (PubChem CID 71928768) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
PubChem CID71928768
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2,3-dihydro-1H-inden-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCc1nc(C2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)n[nH]1
InChIInChI=1S/C18H22N4O2/c1-2-16-19-17(21-20-16)15-11-22(8-9-24-15)18(23)14-7-6-12-4-3-5-13(12)10-14/h6-7,10,15H,2-5,8-9,11H2,1H3,(H,19,20,21)
InChIKeyRGNDHHMJJYILLW-UHFFFAOYSA-N
XLogP2.07
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (CID 71928768) is 2,3-dihydro-1H-inden-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is CCc1nc(C2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)n[nH]1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is RGNDHHMJJYILLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-16-19-17(21-20-16)15-11-22(8-9-24-15)18(23)14-7-6-12-4-3-5-13(12)10-14/h6-7,10,15H,2-5,8-9,11H2,1H3,(H,19,20,21).
What are the key properties of 2,3-dihydro-1H-inden-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
2,3-dihydro-1H-inden-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 71928768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).