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

C11H19N5O2 — CID 61215351

IUPAC4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(C)c2nncn2C)C1
InChIInChI=1S/C11H19N5O2/c1-7(10-15-13-6-16(10)2)14-11(17)9-4-8(18-3)5-12-9/h6-9,12H,4-5H2,1-3H3,(H,14,17)
InChIKeyGMFNGTVWJCWUAU-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.63
Rot. Bonds4

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

4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 61215351) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID61215351
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(C)c2nncn2C)C1
InChIInChI=1S/C11H19N5O2/c1-7(10-15-13-6-16(10)2)14-11(17)9-4-8(18-3)5-12-9/h6-9,12H,4-5H2,1-3H3,(H,14,17)
InChIKeyGMFNGTVWJCWUAU-UHFFFAOYSA-N
XLogP-0.63
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide (CID 61215351) is 4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide is COC1CNC(C(=O)NC(C)c2nncn2C)C1.
What is the InChIKey of 4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is GMFNGTVWJCWUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-7(10-15-13-6-16(10)2)14-11(17)9-4-8(18-3)5-12-9/h6-9,12H,4-5H2,1-3H3,(H,14,17).
What are the key properties of 4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61215351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).