ethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate

C10H13N5O4 — CID 168696251

IUPACethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate
SMILESCCOC(=O)c1nc(N2CC(C(N)=O)CC2=O)n[nH]1
InChIInChI=1S/C10H13N5O4/c1-2-19-9(18)8-12-10(14-13-8)15-4-5(7(11)17)3-6(15)16/h5H,2-4H2,1H3,(H2,11,17)(H,12,13,14)
InChIKeyDJWNCHYNRDEHDF-UHFFFAOYSA-N
MW267.25 g/mol
LogP-1.18
Rot. Bonds4

About ethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate

ethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate (PubChem CID 168696251) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is ethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate
PubChem CID168696251
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Nameethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate
SMILESCCOC(=O)c1nc(N2CC(C(N)=O)CC2=O)n[nH]1
InChIInChI=1S/C10H13N5O4/c1-2-19-9(18)8-12-10(14-13-8)15-4-5(7(11)17)3-6(15)16/h5H,2-4H2,1H3,(H2,11,17)(H,12,13,14)
InChIKeyDJWNCHYNRDEHDF-UHFFFAOYSA-N
XLogP-1.18
TPSA131.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(4-acetylsulfanyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate
CID 168704934
ethyl 5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
CID 168696229
1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696300
ethyl 1-(2-methyltetrazol-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 50879826
methyl 3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate
CID 168714000
methyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylate
CID 168696464
2-[3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]acetic acid
CID 168695524
1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696634
ethyl 3-(4-ethynyl-2-oxopyrrolidin-1-yl)-5-methyl-1H-pyrazole-4-carboxylate
CID 168500520
3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-1,2,4-triazole-5-carboxylic acid
CID 168658529
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696114
1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697064

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate?
The IUPAC name of ethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate (CID 168696251) is ethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate?
The canonical SMILES for ethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate is CCOC(=O)c1nc(N2CC(C(N)=O)CC2=O)n[nH]1.
What is the InChIKey of ethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate?
The InChIKey is DJWNCHYNRDEHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4/c1-2-19-9(18)8-12-10(14-13-8)15-4-5(7(11)17)3-6(15)16/h5H,2-4H2,1H3,(H2,11,17)(H,12,13,14).
What are the key properties of ethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate?
ethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate has a molecular weight of 267.25 g/mol, XLogP of -1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate is sourced from PubChem (CID 168696251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).