ethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate

C10H18N4O2 — CID 63332702

IUPACethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
SMILESCCOC(=O)CCNCCc1nncn1C
InChIInChI=1S/C10H18N4O2/c1-3-16-10(15)5-7-11-6-4-9-13-12-8-14(9)2/h8,11H,3-7H2,1-2H3
InChIKeyQLJTYJUMRMZENI-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.10
Rot. Bonds7

About ethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate

ethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate (PubChem CID 63332702) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is ethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
PubChem CID63332702
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Nameethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
SMILESCCOC(=O)CCNCCc1nncn1C
InChIInChI=1S/C10H18N4O2/c1-3-16-10(15)5-7-11-6-4-9-13-12-8-14(9)2/h8,11H,3-7H2,1-2H3
InChIKeyQLJTYJUMRMZENI-UHFFFAOYSA-N
XLogP-0.10
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.10
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 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate
CID 103251262
N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 63332608
ethyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoacetate
CID 63330652
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanesulfonamide
CID 114385025
2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 103251288
3-ethylsulfonyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 65092737
2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63332560
methyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 63332871
N-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 55201136
ethyl 3-[2-(1-methylpyrazol-4-yl)ethylamino]propanoate
CID 80689143
2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol
CID 79355147
ethyl 5-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxylate
CID 83232476

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate?
The IUPAC name of ethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate (CID 63332702) is ethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate.
What is the SMILES notation for ethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate?
The canonical SMILES for ethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate is CCOC(=O)CCNCCc1nncn1C.
What is the InChIKey of ethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate?
The InChIKey is QLJTYJUMRMZENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-16-10(15)5-7-11-6-4-9-13-12-8-14(9)2/h8,11H,3-7H2,1-2H3.
What are the key properties of ethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate?
ethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate has a molecular weight of 226.28 g/mol, XLogP of -0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate is sourced from PubChem (CID 63332702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).