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

C12H21N5O — CID 91762528

IUPACN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylacetamide
SMILESCCn1ncnc1C(C)NC(=O)CN1CCCC1
InChIInChI=1S/C12H21N5O/c1-3-17-12(13-9-14-17)10(2)15-11(18)8-16-6-4-5-7-16/h9-10H,3-8H2,1-2H3,(H,15,18)
InChIKeyRPDCCQPUFYXCSL-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.57
Rot. Bonds5

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

N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 91762528) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylacetamide
PubChem CID91762528
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylacetamide
SMILESCCn1ncnc1C(C)NC(=O)CN1CCCC1
InChIInChI=1S/C12H21N5O/c1-3-17-12(13-9-14-17)10(2)15-11(18)8-16-6-4-5-7-16/h9-10H,3-8H2,1-2H3,(H,15,18)
InChIKeyRPDCCQPUFYXCSL-UHFFFAOYSA-N
XLogP0.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylacetamide (CID 91762528) is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylacetamide is CCn1ncnc1C(C)NC(=O)CN1CCCC1.
What is the InChIKey of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is RPDCCQPUFYXCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-17-12(13-9-14-17)10(2)15-11(18)8-16-6-4-5-7-16/h9-10H,3-8H2,1-2H3,(H,15,18).
What are the key properties of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylacetamide?
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 91762528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).