methyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate

C8H13N3O3 — CID 103105718

IUPACmethyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate
SMILESCCc1c(C(=O)OC)nnn1CCO
InChIInChI=1S/C8H13N3O3/c1-3-6-7(8(13)14-2)9-10-11(6)4-5-12/h12H,3-5H2,1-2H3
InChIKeyLWXGBHAXPRYGOC-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.38
Rot. Bonds4

About methyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate

methyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate (PubChem CID 103105718) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate
PubChem CID103105718
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Namemethyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate
SMILESCCc1c(C(=O)OC)nnn1CCO
InChIInChI=1S/C8H13N3O3/c1-3-6-7(8(13)14-2)9-10-11(6)4-5-12/h12H,3-5H2,1-2H3
InChIKeyLWXGBHAXPRYGOC-UHFFFAOYSA-N
XLogP-0.38
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-ethyl-1-(5-hydroxypentyl)triazole-4-carboxylate
CID 103105752
methyl 1-[2-(diethylamino)ethyl]-5-ethyltriazole-4-carboxylate
CID 103105875
methyl 5-ethyl-1-(2-pyrazol-1-ylethyl)triazole-4-carboxylate
CID 103105661
methyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate
CID 103105730
methyl 5-ethyl-1-[2-(trifluoromethoxy)ethyl]triazole-4-carboxylate
CID 103105737
methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
CID 103105920
methyl 5-ethyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate
CID 103105645
methyl 5-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]triazole-4-carboxylate
CID 103105822
methyl 5-ethyl-1-[2-(4-fluorophenyl)sulfanylethyl]triazole-4-carboxylate
CID 103105909
methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-ethyltriazole-4-carboxylate
CID 103105641
methyl 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-5-ethyltriazole-4-carboxylate
CID 103105891
methyl 5-ethyl-1-propan-2-yltriazole-4-carboxylate
CID 103105848

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate?
The IUPAC name of methyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate (CID 103105718) is methyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate.
What is the SMILES notation for methyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate?
The canonical SMILES for methyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate is CCc1c(C(=O)OC)nnn1CCO.
What is the InChIKey of methyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate?
The InChIKey is LWXGBHAXPRYGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-3-6-7(8(13)14-2)9-10-11(6)4-5-12/h12H,3-5H2,1-2H3.
What are the key properties of methyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate?
methyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate has a molecular weight of 199.21 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate is sourced from PubChem (CID 103105718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).