ethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate

C12H19N5O4 — CID 112520362

IUPACethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(CC(=O)NCC2CCCO2)n1
InChIInChI=1S/C12H19N5O4/c1-2-20-12(19)15-10-7-14-17(16-10)8-11(18)13-6-9-4-3-5-21-9/h7,9H,2-6,8H2,1H3,(H,13,18)(H,15,16,19)
InChIKeyLEPMSECIGSOZII-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.14
Rot. Bonds6

About ethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate

ethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate (PubChem CID 112520362) has the molecular formula C12H19N5O4 and a molecular weight of 297.32 g/mol. Its IUPAC name is ethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate
PubChem CID112520362
Molecular FormulaC12H19N5O4
Molecular Weight297.32 g/mol
Exact Mass297.14
IUPAC Nameethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(CC(=O)NCC2CCCO2)n1
InChIInChI=1S/C12H19N5O4/c1-2-20-12(19)15-10-7-14-17(16-10)8-11(18)13-6-9-4-3-5-21-9/h7,9H,2-6,8H2,1H3,(H,13,18)(H,15,16,19)
InChIKeyLEPMSECIGSOZII-UHFFFAOYSA-N
XLogP0.14
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate
CID 113025422
2-(4-aminopyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92632010
methyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112520366
ethyl N-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112522070
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7713076
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 30479133
ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate
CID 109146929
2-(4-iodo-3,5-dimethylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7335205
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 19525400
3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 91960377
2-[(2S)-2-methylpiperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51980847
3-ethyl-5-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]-1,2-oxazole-4-carboxamide
CID 92632233

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate?
The IUPAC name of ethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate (CID 112520362) is ethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate?
The canonical SMILES for ethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate is CCOC(=O)Nc1cnn(CC(=O)NCC2CCCO2)n1.
What is the InChIKey of ethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate?
The InChIKey is LEPMSECIGSOZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O4/c1-2-20-12(19)15-10-7-14-17(16-10)8-11(18)13-6-9-4-3-5-21-9/h7,9H,2-6,8H2,1H3,(H,13,18)(H,15,16,19).
What are the key properties of ethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate?
ethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate has a molecular weight of 297.32 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112520362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).