4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide

C11H19N5O2 — CID 55202292

IUPAC4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCCc2nncn2C)C1
InChIInChI=1S/C11H19N5O2/c1-16-7-14-15-10(16)3-4-12-11(17)9-5-8(18-2)6-13-9/h7-9,13H,3-6H2,1-2H3,(H,12,17)
InChIKeyXDINXENVWLSKDP-UHFFFAOYSA-N
MW253.31 g/mol
LogP-1.15
Rot. Bonds5

About 4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide

4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 55202292) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID55202292
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCCc2nncn2C)C1
InChIInChI=1S/C11H19N5O2/c1-16-7-14-15-10(16)3-4-12-11(17)9-5-8(18-2)6-13-9/h7-9,13H,3-6H2,1-2H3,(H,12,17)
InChIKeyXDINXENVWLSKDP-UHFFFAOYSA-N
XLogP-1.15
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide (CID 55202292) is 4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide is COC1CNC(C(=O)NCCc2nncn2C)C1.
What is the InChIKey of 4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is XDINXENVWLSKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-16-7-14-15-10(16)3-4-12-11(17)9-5-8(18-2)6-13-9/h7-9,13H,3-6H2,1-2H3,(H,12,17).
What are the key properties of 4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55202292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).