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

C17H20N4O2 — CID 129329680

IUPAC2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCn1cnnc1[C@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1
InChIInChI=1S/C17H20N4O2/c1-20-11-18-19-16(20)15-10-21(7-8-23-15)17(22)14-6-5-12-3-2-4-13(12)9-14/h5-6,9,11,15H,2-4,7-8,10H2,1H3/t15-/m1/s1
InChIKeyGEUWIRFRXBCWPW-OAHLLOKOSA-N
MW312.37 g/mol
LogP1.52
Rot. Bonds2

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

2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (PubChem CID 129329680) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
PubChem CID129329680
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCn1cnnc1[C@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1
InChIInChI=1S/C17H20N4O2/c1-20-11-18-19-16(20)15-10-21(7-8-23-15)17(22)14-6-5-12-3-2-4-13(12)9-14/h5-6,9,11,15H,2-4,7-8,10H2,1H3/t15-/m1/s1
InChIKeyGEUWIRFRXBCWPW-OAHLLOKOSA-N
XLogP1.52
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxy-4-methylphenyl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129006421
(4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129328081
2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124983075
2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 110115994
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 125019087
[(2R)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 124955708
[2-(4-chlorophenyl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60552657
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124988304
[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124987078
[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 129329530
[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 129329531
[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124968695

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (CID 129329680) is 2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is Cn1cnnc1[C@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is GEUWIRFRXBCWPW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-20-11-18-19-16(20)15-10-21(7-8-23-15)17(22)14-6-5-12-3-2-4-13(12)9-14/h5-6,9,11,15H,2-4,7-8,10H2,1H3/t15-/m1/s1.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 312.37 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129329680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).