ethyl 4-(2-methoxyethyl)-1,2,4-triazole-3-carboxylate

C8H13N3O3 — CID 63356235

IUPACethyl 4-(2-methoxyethyl)-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nncn1CCOC
InChIInChI=1S/C8H13N3O3/c1-3-14-8(12)7-10-9-6-11(7)4-5-13-2/h6H,3-5H2,1-2H3
InChIKeyWJPQVDNNVGFGFT-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.10
Rot. Bonds5

About ethyl 4-(2-methoxyethyl)-1,2,4-triazole-3-carboxylate

ethyl 4-(2-methoxyethyl)-1,2,4-triazole-3-carboxylate (PubChem CID 63356235) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is ethyl 4-(2-methoxyethyl)-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyethyl)-1,2,4-triazole-3-carboxylate
PubChem CID63356235
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Nameethyl 4-(2-methoxyethyl)-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nncn1CCOC
InChIInChI=1S/C8H13N3O3/c1-3-14-8(12)7-10-9-6-11(7)4-5-13-2/h6H,3-5H2,1-2H3
InChIKeyWJPQVDNNVGFGFT-UHFFFAOYSA-N
XLogP0.10
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-ethyl-1,2,4-triazole-3-carboxylate
CID 63356190
ethyl 4-benzyl-1,2,4-triazole-3-carboxylate
CID 172839532
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,6-dimethylbenzoic acid
CID 103431008
3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393679
3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393769
5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
CID 115393609
1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid
CID 62711099
ethyl 3-[1-(2-methoxyethyl)imidazol-2-yl]-3-oxopropanoate
CID 58066151
4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole
CID 115393653
ethyl 5-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxylate
CID 83232476
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4,6-dimethylaniline
CID 63112611

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyethyl)-1,2,4-triazole-3-carboxylate?
The IUPAC name of ethyl 4-(2-methoxyethyl)-1,2,4-triazole-3-carboxylate (CID 63356235) is ethyl 4-(2-methoxyethyl)-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxyethyl)-1,2,4-triazole-3-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxyethyl)-1,2,4-triazole-3-carboxylate is CCOC(=O)c1nncn1CCOC.
What is the InChIKey of ethyl 4-(2-methoxyethyl)-1,2,4-triazole-3-carboxylate?
The InChIKey is WJPQVDNNVGFGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-3-14-8(12)7-10-9-6-11(7)4-5-13-2/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 4-(2-methoxyethyl)-1,2,4-triazole-3-carboxylate?
ethyl 4-(2-methoxyethyl)-1,2,4-triazole-3-carboxylate has a molecular weight of 199.21 g/mol, XLogP of 0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyethyl)-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 63356235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).