N-(2-methoxyethyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide

C10H17N5O2 — CID 121151023

IUPACN-(2-methoxyethyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(n2ccnn2)C1
InChIInChI=1S/C10H17N5O2/c1-17-7-4-11-10(16)14-5-2-9(8-14)15-6-3-12-13-15/h3,6,9H,2,4-5,7-8H2,1H3,(H,11,16)
InChIKeyJXWMIYTZVSXXLA-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.12
Rot. Bonds4

About N-(2-methoxyethyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide

N-(2-methoxyethyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide (PubChem CID 121151023) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide
PubChem CID121151023
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-(2-methoxyethyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(n2ccnn2)C1
InChIInChI=1S/C10H17N5O2/c1-17-7-4-11-10(16)14-5-2-9(8-14)15-6-3-12-13-15/h3,6,9H,2,4-5,7-8H2,1H3,(H,11,16)
InChIKeyJXWMIYTZVSXXLA-UHFFFAOYSA-N
XLogP-0.12
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide (CID 121151023) is N-(2-methoxyethyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide is COCCNC(=O)N1CCC(n2ccnn2)C1.
What is the InChIKey of N-(2-methoxyethyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is JXWMIYTZVSXXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-17-7-4-11-10(16)14-5-2-9(8-14)15-6-3-12-13-15/h3,6,9H,2,4-5,7-8H2,1H3,(H,11,16).
What are the key properties of N-(2-methoxyethyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide?
N-(2-methoxyethyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 239.28 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 N-(2-methoxyethyl)-3-(triazol-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 121151023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).