1-tert-butyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C14H23N5O2 — CID 70744867

IUPAC1-tert-butyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1ncnc1CCNC(=O)C1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C14H23N5O2/c1-14(2,3)19-8-10(7-12(19)20)13(21)15-6-5-11-16-9-17-18(11)4/h9-10H,5-8H2,1-4H3,(H,15,21)
InChIKeyVEZZGABDDURZNK-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.12
Rot. Bonds4

About 1-tert-butyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-tert-butyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 70744867) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-tert-butyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID70744867
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-tert-butyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1ncnc1CCNC(=O)C1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C14H23N5O2/c1-14(2,3)19-8-10(7-12(19)20)13(21)15-6-5-11-16-9-17-18(11)4/h9-10H,5-8H2,1-4H3,(H,15,21)
InChIKeyVEZZGABDDURZNK-UHFFFAOYSA-N
XLogP0.12
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 70744867) is 1-tert-butyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cn1ncnc1CCNC(=O)C1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VEZZGABDDURZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-14(2,3)19-8-10(7-12(19)20)13(21)15-6-5-11-16-9-17-18(11)4/h9-10H,5-8H2,1-4H3,(H,15,21).
What are the key properties of 1-tert-butyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 70744867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).