methyl 1-[[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]methyl]triazole-4-carboxylate

C17H20N4O2 — CID 51092854

IUPACmethyl 1-[[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]methyl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(CN(C2CC2)C2CCc3ccccc32)nn1
InChIInChI=1S/C17H20N4O2/c1-23-17(22)15-10-20(19-18-15)11-21(13-7-8-13)16-9-6-12-4-2-3-5-14(12)16/h2-5,10,13,16H,6-9,11H2,1H3
InChIKeyCMTHYDZZUMQKRK-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.17
Rot. Bonds5

About methyl 1-[[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]methyl]triazole-4-carboxylate

methyl 1-[[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]methyl]triazole-4-carboxylate (PubChem CID 51092854) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 1-[[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]methyl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]methyl]triazole-4-carboxylate
PubChem CID51092854
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Namemethyl 1-[[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]methyl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(CN(C2CC2)C2CCc3ccccc32)nn1
InChIInChI=1S/C17H20N4O2/c1-23-17(22)15-10-20(19-18-15)11-21(13-7-8-13)16-9-6-12-4-2-3-5-14(12)16/h2-5,10,13,16H,6-9,11H2,1H3
InChIKeyCMTHYDZZUMQKRK-UHFFFAOYSA-N
XLogP2.17
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]methyl]triazole-4-carboxylate?
The IUPAC name of methyl 1-[[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]methyl]triazole-4-carboxylate (CID 51092854) is methyl 1-[[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]methyl]triazole-4-carboxylate.
What is the SMILES notation for methyl 1-[[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]methyl]triazole-4-carboxylate?
The canonical SMILES for methyl 1-[[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]methyl]triazole-4-carboxylate is COC(=O)c1cn(CN(C2CC2)C2CCc3ccccc32)nn1.
What is the InChIKey of methyl 1-[[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]methyl]triazole-4-carboxylate?
The InChIKey is CMTHYDZZUMQKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-17(22)15-10-20(19-18-15)11-21(13-7-8-13)16-9-6-12-4-2-3-5-14(12)16/h2-5,10,13,16H,6-9,11H2,1H3.
What are the key properties of methyl 1-[[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]methyl]triazole-4-carboxylate?
methyl 1-[[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]methyl]triazole-4-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]methyl]triazole-4-carboxylate is sourced from PubChem (CID 51092854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).