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

C17H21N3O2 — CID 121340211

IUPACmethyl 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanoate
SMILESCCn1c(CCC(=O)OC)nnc1C1Cc2ccccc2C1
InChIInChI=1S/C17H21N3O2/c1-3-20-15(8-9-16(21)22-2)18-19-17(20)14-10-12-6-4-5-7-13(12)11-14/h4-7,14H,3,8-11H2,1-2H3
InChIKeyLKZIOIAQRXOWNP-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.29
Rot. Bonds5

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

methyl 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanoate (PubChem CID 121340211) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanoate
PubChem CID121340211
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Namemethyl 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanoate
SMILESCCn1c(CCC(=O)OC)nnc1C1Cc2ccccc2C1
InChIInChI=1S/C17H21N3O2/c1-3-20-15(8-9-16(21)22-2)18-19-17(20)14-10-12-6-4-5-7-13(12)11-14/h4-7,14H,3,8-11H2,1-2H3
InChIKeyLKZIOIAQRXOWNP-UHFFFAOYSA-N
XLogP2.29
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanoate with MolForge

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Related Compounds

methyl (7S)-3-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylate
CID 164640533
Methyl 3-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 132396272
Methyl 3-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 132396273
Methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate
CID 59216135
Methyl 4-methyl-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate
CID 59216264
5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazole-3-carbaldehyde
CID 90130749
(E)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]prop-2-enoic acid
CID 90130753
N-(3-bicyclo[4.1.0]hept-5-enylmethyl)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanamide
CID 90130782
3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanoic acid
CID 90130817
5-(2,3-Dihydro-1h-inden-2-yl)-4-ethyl-4h-1,2,4-triazole-3-methanol
CID 106894469
ethyl (E)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]prop-2-enoate
CID 121340210
methyl (3R)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]butanoate
CID 121340268

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanoate?
The IUPAC name of methyl 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanoate (CID 121340211) is methyl 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanoate.
What is the SMILES notation for methyl 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanoate?
The canonical SMILES for methyl 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanoate is CCn1c(CCC(=O)OC)nnc1C1Cc2ccccc2C1.
What is the InChIKey of methyl 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanoate?
The InChIKey is LKZIOIAQRXOWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-20-15(8-9-16(21)22-2)18-19-17(20)14-10-12-6-4-5-7-13(12)11-14/h4-7,14H,3,8-11H2,1-2H3.
What are the key properties of methyl 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanoate?
methyl 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanoate has a molecular weight of 299.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanoate is sourced from PubChem (CID 121340211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).