ethyl 1,5-dipropyltriazole-4-carboxylate

C11H19N3O2 — CID 103106241

IUPACethyl 1,5-dipropyltriazole-4-carboxylate
SMILESCCCc1c(C(=O)OCC)nnn1CCC
InChIInChI=1S/C11H19N3O2/c1-4-7-9-10(11(15)16-6-3)12-13-14(9)8-5-2/h4-8H2,1-3H3
InChIKeyCWYSCUVJVFCFEO-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.82
Rot. Bonds6

About ethyl 1,5-dipropyltriazole-4-carboxylate

ethyl 1,5-dipropyltriazole-4-carboxylate (PubChem CID 103106241) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 1,5-dipropyltriazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1,5-dipropyltriazole-4-carboxylate
PubChem CID103106241
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nameethyl 1,5-dipropyltriazole-4-carboxylate
SMILESCCCc1c(C(=O)OCC)nnn1CCC
InChIInChI=1S/C11H19N3O2/c1-4-7-9-10(11(15)16-6-3)12-13-14(9)8-5-2/h4-8H2,1-3H3
InChIKeyCWYSCUVJVFCFEO-UHFFFAOYSA-N
XLogP1.82
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2-ethoxyethyl)-5-propyltriazole-4-carboxylate
CID 103106077
ethyl 1-(6-hydroxyhexyl)-5-propyltriazole-4-carboxylate
CID 107706598
ethyl 1-(3-methoxypropyl)-5-propyltriazole-4-carboxylate
CID 103106084
ethyl 1-[3-(dimethylamino)propyl]-5-propyltriazole-4-carboxylate
CID 103106072
ethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate
CID 103106195
ethyl 1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyltriazole-4-carboxylate
CID 103106164
ethyl 5-propyl-1-(2-pyridin-3-ylethyl)triazole-4-carboxylate
CID 103106221
methyl 1-(2-ethoxyethyl)-5-propyltriazole-4-carboxylate
CID 103113453
ethyl 1-[(4-chlorophenyl)methyl]-5-propyltriazole-4-carboxylate
CID 103106239
ethyl 1-(3-amino-3-oxopropyl)-5-(chloromethyl)triazole-4-carboxylate
CID 103108765
methyl 1-(3-hydroxy-3-methylbutyl)-5-propyltriazole-4-carboxylate
CID 103113594
ethyl 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-5-propyltriazole-4-carboxylate
CID 103106187

Frequently Asked Questions

What is the IUPAC name of ethyl 1,5-dipropyltriazole-4-carboxylate?
The IUPAC name of ethyl 1,5-dipropyltriazole-4-carboxylate (CID 103106241) is ethyl 1,5-dipropyltriazole-4-carboxylate.
What is the SMILES notation for ethyl 1,5-dipropyltriazole-4-carboxylate?
The canonical SMILES for ethyl 1,5-dipropyltriazole-4-carboxylate is CCCc1c(C(=O)OCC)nnn1CCC.
What is the InChIKey of ethyl 1,5-dipropyltriazole-4-carboxylate?
The InChIKey is CWYSCUVJVFCFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-7-9-10(11(15)16-6-3)12-13-14(9)8-5-2/h4-8H2,1-3H3.
What are the key properties of ethyl 1,5-dipropyltriazole-4-carboxylate?
ethyl 1,5-dipropyltriazole-4-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,5-dipropyltriazole-4-carboxylate is sourced from PubChem (CID 103106241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).