ethyl 5-propyl-1-(2-pyridin-3-ylethyl)triazole-4-carboxylate

C15H20N4O2 — CID 103106221

IUPACethyl 5-propyl-1-(2-pyridin-3-ylethyl)triazole-4-carboxylate
SMILESCCCc1c(C(=O)OCC)nnn1CCc1cccnc1
InChIInChI=1S/C15H20N4O2/c1-3-6-13-14(15(20)21-4-2)17-18-19(13)10-8-12-7-5-9-16-11-12/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyRGRVBMBCGXVXKL-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.05
Rot. Bonds7

About ethyl 5-propyl-1-(2-pyridin-3-ylethyl)triazole-4-carboxylate

ethyl 5-propyl-1-(2-pyridin-3-ylethyl)triazole-4-carboxylate (PubChem CID 103106221) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 5-propyl-1-(2-pyridin-3-ylethyl)triazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-propyl-1-(2-pyridin-3-ylethyl)triazole-4-carboxylate
PubChem CID103106221
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nameethyl 5-propyl-1-(2-pyridin-3-ylethyl)triazole-4-carboxylate
SMILESCCCc1c(C(=O)OCC)nnn1CCc1cccnc1
InChIInChI=1S/C15H20N4O2/c1-3-6-13-14(15(20)21-4-2)17-18-19(13)10-8-12-7-5-9-16-11-12/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyRGRVBMBCGXVXKL-UHFFFAOYSA-N
XLogP2.05
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine
CID 79542579
ethyl 1,5-dipropyltriazole-4-carboxylate
CID 103106241
ethyl 1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyltriazole-4-carboxylate
CID 103106164
ethyl 1-(2-ethoxyethyl)-5-propyltriazole-4-carboxylate
CID 103106077
5-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)triazole-4-carboxylic acid
CID 102645727
ethyl 5-propan-2-yl-1-(pyridin-3-ylmethyl)triazole-4-carboxylate
CID 103105296
ethyl 1-(6-hydroxyhexyl)-5-propyltriazole-4-carboxylate
CID 107706598
ethyl 1-[(4-chlorophenyl)methyl]-5-propyltriazole-4-carboxylate
CID 103106239
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 5-methyl-4-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxylate
CID 83233129

Frequently Asked Questions

What is the IUPAC name of ethyl 5-propyl-1-(2-pyridin-3-ylethyl)triazole-4-carboxylate?
The IUPAC name of ethyl 5-propyl-1-(2-pyridin-3-ylethyl)triazole-4-carboxylate (CID 103106221) is ethyl 5-propyl-1-(2-pyridin-3-ylethyl)triazole-4-carboxylate.
What is the SMILES notation for ethyl 5-propyl-1-(2-pyridin-3-ylethyl)triazole-4-carboxylate?
The canonical SMILES for ethyl 5-propyl-1-(2-pyridin-3-ylethyl)triazole-4-carboxylate is CCCc1c(C(=O)OCC)nnn1CCc1cccnc1.
What is the InChIKey of ethyl 5-propyl-1-(2-pyridin-3-ylethyl)triazole-4-carboxylate?
The InChIKey is RGRVBMBCGXVXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-6-13-14(15(20)21-4-2)17-18-19(13)10-8-12-7-5-9-16-11-12/h5,7,9,11H,3-4,6,8,10H2,1-2H3.
What are the key properties of ethyl 5-propyl-1-(2-pyridin-3-ylethyl)triazole-4-carboxylate?
ethyl 5-propyl-1-(2-pyridin-3-ylethyl)triazole-4-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-propyl-1-(2-pyridin-3-ylethyl)triazole-4-carboxylate is sourced from PubChem (CID 103106221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).