ethyl 1-[(1-hydroxycyclopentyl)methyl]-5-methyltriazole-4-carboxylate

C12H19N3O3 — CID 103104950

IUPACethyl 1-[(1-hydroxycyclopentyl)methyl]-5-methyltriazole-4-carboxylate
SMILESCCOC(=O)c1nnn(CC2(O)CCCC2)c1C
InChIInChI=1S/C12H19N3O3/c1-3-18-11(16)10-9(2)15(14-13-10)8-12(17)6-4-5-7-12/h17H,3-8H2,1-2H3
InChIKeyFVZYPKOMJSZHOC-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.07
Rot. Bonds4

About ethyl 1-[(1-hydroxycyclopentyl)methyl]-5-methyltriazole-4-carboxylate

ethyl 1-[(1-hydroxycyclopentyl)methyl]-5-methyltriazole-4-carboxylate (PubChem CID 103104950) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 1-[(1-hydroxycyclopentyl)methyl]-5-methyltriazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-hydroxycyclopentyl)methyl]-5-methyltriazole-4-carboxylate
PubChem CID103104950
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 1-[(1-hydroxycyclopentyl)methyl]-5-methyltriazole-4-carboxylate
SMILESCCOC(=O)c1nnn(CC2(O)CCCC2)c1C
InChIInChI=1S/C12H19N3O3/c1-3-18-11(16)10-9(2)15(14-13-10)8-12(17)6-4-5-7-12/h17H,3-8H2,1-2H3
InChIKeyFVZYPKOMJSZHOC-UHFFFAOYSA-N
XLogP1.07
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[(1-hydroxycyclopentyl)methyl]-5-methyltriazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[(1-hydroxycyclohexyl)methyl]-5-propyltriazole-4-carboxylate
CID 103113956
2-(4-ethoxycarbonyl-5-methyltriazol-1-yl)acetic acid
CID 82222614
ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
CID 103105071
ethyl 5-methyl-1-(3-methylbutyl)triazole-4-carboxylate
CID 103104931
ethyl 1,5-dimethyltriazole-4-carboxylate
CID 14969764
ethyl 1-(3-hydroxy-2-methylpropyl)-5-methyltriazole-4-carboxylate
CID 103105050
ethyl 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylate
CID 103105021
prop-2-enyl 1-ethyl-5-methyltriazole-4-carboxylate
CID 103114216
ethyl 5-methyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate
CID 103104813
ethyl 5-(aminomethyl)-1-(cyclobutylmethyl)triazole-4-carboxylate
CID 103111414
prop-2-enyl 1-(cyclopropylmethyl)-5-methyltriazole-4-carboxylate
CID 103114103
ethyl 1-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carboxylate
CID 2764580

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-hydroxycyclopentyl)methyl]-5-methyltriazole-4-carboxylate?
The IUPAC name of ethyl 1-[(1-hydroxycyclopentyl)methyl]-5-methyltriazole-4-carboxylate (CID 103104950) is ethyl 1-[(1-hydroxycyclopentyl)methyl]-5-methyltriazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[(1-hydroxycyclopentyl)methyl]-5-methyltriazole-4-carboxylate?
The canonical SMILES for ethyl 1-[(1-hydroxycyclopentyl)methyl]-5-methyltriazole-4-carboxylate is CCOC(=O)c1nnn(CC2(O)CCCC2)c1C.
What is the InChIKey of ethyl 1-[(1-hydroxycyclopentyl)methyl]-5-methyltriazole-4-carboxylate?
The InChIKey is FVZYPKOMJSZHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-18-11(16)10-9(2)15(14-13-10)8-12(17)6-4-5-7-12/h17H,3-8H2,1-2H3.
What are the key properties of ethyl 1-[(1-hydroxycyclopentyl)methyl]-5-methyltriazole-4-carboxylate?
ethyl 1-[(1-hydroxycyclopentyl)methyl]-5-methyltriazole-4-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-hydroxycyclopentyl)methyl]-5-methyltriazole-4-carboxylate is sourced from PubChem (CID 103104950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).