2-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone

C11H14N6O — CID 174707122

IUPAC2-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(C(c1ncc[nH]1)n1cncn1)N1CCCC1
InChIInChI=1S/C11H14N6O/c18-11(16-5-1-2-6-16)9(10-13-3-4-14-10)17-8-12-7-15-17/h3-4,7-9H,1-2,5-6H2,(H,13,14)
InChIKeyVIZPVBQRGHEEEH-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.21
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone

2-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 174707122) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID174707122
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name2-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(C(c1ncc[nH]1)n1cncn1)N1CCCC1
InChIInChI=1S/C11H14N6O/c18-11(16-5-1-2-6-16)9(10-13-3-4-14-10)17-8-12-7-15-17/h3-4,7-9H,1-2,5-6H2,(H,13,14)
InChIKeyVIZPVBQRGHEEEH-UHFFFAOYSA-N
XLogP0.21
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone (CID 174707122) is 2-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone is O=C(C(c1ncc[nH]1)n1cncn1)N1CCCC1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is VIZPVBQRGHEEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c18-11(16-5-1-2-6-16)9(10-13-3-4-14-10)17-8-12-7-15-17/h3-4,7-9H,1-2,5-6H2,(H,13,14).
What are the key properties of 2-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone?
2-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 246.27 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 174707122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).