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

C11H19N5O — CID 63713854

IUPAC4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCCc1nncn1C
InChIInChI=1S/C11H19N5O/c1-8-5-12-6-9(8)11(17)13-4-3-10-15-14-7-16(10)2/h7-9,12H,3-6H2,1-2H3,(H,13,17)
InChIKeyNWLCFIDBYNPRBS-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.67
Rot. Bonds4

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

4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 63713854) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID63713854
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCCc1nncn1C
InChIInChI=1S/C11H19N5O/c1-8-5-12-6-9(8)11(17)13-4-3-10-15-14-7-16(10)2/h7-9,12H,3-6H2,1-2H3,(H,13,17)
InChIKeyNWLCFIDBYNPRBS-UHFFFAOYSA-N
XLogP-0.67
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide (CID 63713854) is 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide is CC1CNCC1C(=O)NCCc1nncn1C.
What is the InChIKey of 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is NWLCFIDBYNPRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8-5-12-6-9(8)11(17)13-4-3-10-15-14-7-16(10)2/h7-9,12H,3-6H2,1-2H3,(H,13,17).
What are the key properties of 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 237.31 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63713854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).