ethyl 2-[2-(ethylamino)ethyl]-5-methyltriazole-4-carboxylate

C10H18N4O2 — CID 145108117

IUPACethyl 2-[2-(ethylamino)ethyl]-5-methyltriazole-4-carboxylate
SMILESCCNCCn1nc(C)c(C(=O)OCC)n1
InChIInChI=1S/C10H18N4O2/c1-4-11-6-7-14-12-8(3)9(13-14)10(15)16-5-2/h11H,4-7H2,1-3H3
InChIKeyUOMUIMNZPUXSMV-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.37
Rot. Bonds6

About ethyl 2-[2-(ethylamino)ethyl]-5-methyltriazole-4-carboxylate

ethyl 2-[2-(ethylamino)ethyl]-5-methyltriazole-4-carboxylate (PubChem CID 145108117) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is ethyl 2-[2-(ethylamino)ethyl]-5-methyltriazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(ethylamino)ethyl]-5-methyltriazole-4-carboxylate
PubChem CID145108117
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Nameethyl 2-[2-(ethylamino)ethyl]-5-methyltriazole-4-carboxylate
SMILESCCNCCn1nc(C)c(C(=O)OCC)n1
InChIInChI=1S/C10H18N4O2/c1-4-11-6-7-14-12-8(3)9(13-14)10(15)16-5-2/h11H,4-7H2,1-3H3
InChIKeyUOMUIMNZPUXSMV-UHFFFAOYSA-N
XLogP0.37
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(fluoromethyl)-5-methyltriazole-4-carboxylate
CID 69170091
ethyl 5-methyl-2-(2-methylphenyl)triazole-4-carboxylate
CID 50873970
ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate
CID 165463383
ethyl 1,5-dimethylimidazole-4-carboxylate
CID 13143714
ethyl 2-(4-chlorophenyl)-5-methyltriazole-4-carboxylate
CID 50849373
ethyl 1,5-dipropyltriazole-4-carboxylate
CID 103106241
ethyl 1,5-dimethyltriazole-4-carboxylate
CID 14969764
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 1-methyl-5-(4-methylphenyl)imidazole-4-carboxylate
CID 14735438
ethyl 3-(benzotriazol-2-yl)propanoate
CID 3783568
ethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
CID 10846618
CID 135044135
CID 135044135

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(ethylamino)ethyl]-5-methyltriazole-4-carboxylate?
The IUPAC name of ethyl 2-[2-(ethylamino)ethyl]-5-methyltriazole-4-carboxylate (CID 145108117) is ethyl 2-[2-(ethylamino)ethyl]-5-methyltriazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-(ethylamino)ethyl]-5-methyltriazole-4-carboxylate?
The canonical SMILES for ethyl 2-[2-(ethylamino)ethyl]-5-methyltriazole-4-carboxylate is CCNCCn1nc(C)c(C(=O)OCC)n1.
What is the InChIKey of ethyl 2-[2-(ethylamino)ethyl]-5-methyltriazole-4-carboxylate?
The InChIKey is UOMUIMNZPUXSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-4-11-6-7-14-12-8(3)9(13-14)10(15)16-5-2/h11H,4-7H2,1-3H3.
What are the key properties of ethyl 2-[2-(ethylamino)ethyl]-5-methyltriazole-4-carboxylate?
ethyl 2-[2-(ethylamino)ethyl]-5-methyltriazole-4-carboxylate has a molecular weight of 226.28 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(ethylamino)ethyl]-5-methyltriazole-4-carboxylate is sourced from PubChem (CID 145108117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).