N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide

C11H19N5O — CID 63330156

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCn1cnnc1CCNC(=O)CC1CCCN1
InChIInChI=1S/C11H19N5O/c1-16-8-14-15-10(16)4-6-13-11(17)7-9-3-2-5-12-9/h8-9,12H,2-7H2,1H3,(H,13,17)
InChIKeyGSYIBVCVTKOXJK-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.38
Rot. Bonds5

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

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 63330156) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID63330156
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCn1cnnc1CCNC(=O)CC1CCCN1
InChIInChI=1S/C11H19N5O/c1-16-8-14-15-10(16)4-6-13-11(17)7-9-3-2-5-12-9/h8-9,12H,2-7H2,1H3,(H,13,17)
InChIKeyGSYIBVCVTKOXJK-UHFFFAOYSA-N
XLogP-0.38
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide (CID 63330156) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide is Cn1cnnc1CCNC(=O)CC1CCCN1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is GSYIBVCVTKOXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-16-8-14-15-10(16)4-6-13-11(17)7-9-3-2-5-12-9/h8-9,12H,2-7H2,1H3,(H,13,17).
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 237.31 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 63330156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).