ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate

C14H22N4O2 — CID 114985351

IUPACethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1nnc(CC)c(CC)n1
InChIInChI=1S/C14H22N4O2/c1-4-10-11(5-2)16-17-14(15-10)18-9-7-8-12(18)13(19)20-6-3/h12H,4-9H2,1-3H3
InChIKeyGKEMDDIBWNVTOM-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.53
Rot. Bonds5

About ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate

ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate (PubChem CID 114985351) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate
PubChem CID114985351
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nameethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1nnc(CC)c(CC)n1
InChIInChI=1S/C14H22N4O2/c1-4-10-11(5-2)16-17-14(15-10)18-9-7-8-12(18)13(19)20-6-3/h12H,4-9H2,1-3H3
InChIKeyGKEMDDIBWNVTOM-UHFFFAOYSA-N
XLogP1.53
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-2-carboxylate
CID 105363274
ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperazine-2-carboxylate
CID 105363029
ethyl 1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylate
CID 65274919
ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate
CID 62858505
ethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate
CID 115975575
ethyl 1-(4-carbamothioyl-6-methylpyrimidin-2-yl)piperidine-2-carboxylate
CID 107546692
ethyl (2S)-1-(2-ethoxycarbonylcyclopenten-1-yl)pyrrolidine-2-carboxylate
CID 11673573
ethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 66333084
ethyl 1-(4-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxylate
CID 79399934
1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanone
CID 105362265
ethyl 1-(2-carbamothioylphenyl)pyrrolidine-2-carboxylate
CID 55006616
ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate
CID 80647768

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate (CID 114985351) is ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1c1nnc(CC)c(CC)n1.
What is the InChIKey of ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate?
The InChIKey is GKEMDDIBWNVTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-10-11(5-2)16-17-14(15-10)18-9-7-8-12(18)13(19)20-6-3/h12H,4-9H2,1-3H3.
What are the key properties of ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate?
ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 114985351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).