methyl 2-[4-(2-hydroxyethyl)triazol-1-yl]acetate

C7H11N3O3 — CID 71756732

IUPACmethyl 2-[4-(2-hydroxyethyl)triazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(CCO)nn1
InChIInChI=1S/C7H11N3O3/c1-13-7(12)5-10-4-6(2-3-11)8-9-10/h4,11H,2-3,5H2,1H3
InChIKeyCVWNVAUOPWCYSN-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.01
Rot. Bonds4

About methyl 2-[4-(2-hydroxyethyl)triazol-1-yl]acetate

methyl 2-[4-(2-hydroxyethyl)triazol-1-yl]acetate (PubChem CID 71756732) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is methyl 2-[4-(2-hydroxyethyl)triazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-hydroxyethyl)triazol-1-yl]acetate
PubChem CID71756732
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Namemethyl 2-[4-(2-hydroxyethyl)triazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(CCO)nn1
InChIInChI=1S/C7H11N3O3/c1-13-7(12)5-10-4-6(2-3-11)8-9-10/h4,11H,2-3,5H2,1H3
InChIKeyCVWNVAUOPWCYSN-UHFFFAOYSA-N
XLogP-1.01
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]acetate
CID 71590932
Ethyl[4-methyl-1H-1,2,3-triazole-1-yl]acetate
CID 59603650
2-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]acetic acid
CID 59680732
4-(2-Hydroxyethyl)-1H-1,2,3-triazole-1-acetic acid
CID 80703719
methyl 2-[4-(1-hydroxyethyl)-1H-1,2,3-triazol-1-yl]acetate
CID 71756634
methyl 2-(4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl)acetate
CID 104093357
tert-butyl 2-[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]acetate
CID 121552734
2-(1-ethyl-1H-1,2,3-triazol-4-yl)acetic acid hydrochloride
CID 132300818
2-[1-(2,2-diethoxyethyl)-1H-1,2,3-triazol-4-yl]ethan-1-ol
CID 50988016
2-(1-ethyl-1H-1,2,3-triazol-4-yl)acetic acid
CID 67477111
2-[4-(2-Hydroxyethyl)-1h-1,2,3-triazol-1-yl]-ethane-1,1-diol
CID 134693278
2-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]triazol-4-yl]ethanol
CID 62401877

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-hydroxyethyl)triazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-(2-hydroxyethyl)triazol-1-yl]acetate (CID 71756732) is methyl 2-[4-(2-hydroxyethyl)triazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-hydroxyethyl)triazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-hydroxyethyl)triazol-1-yl]acetate is COC(=O)Cn1cc(CCO)nn1.
What is the InChIKey of methyl 2-[4-(2-hydroxyethyl)triazol-1-yl]acetate?
The InChIKey is CVWNVAUOPWCYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-13-7(12)5-10-4-6(2-3-11)8-9-10/h4,11H,2-3,5H2,1H3.
What are the key properties of methyl 2-[4-(2-hydroxyethyl)triazol-1-yl]acetate?
methyl 2-[4-(2-hydroxyethyl)triazol-1-yl]acetate has a molecular weight of 185.18 g/mol, XLogP of -1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-hydroxyethyl)triazol-1-yl]acetate is sourced from PubChem (CID 71756732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).