1-ethyl-4-[[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-2-one

C12H21N5O — CID 131897142

IUPAC1-ethyl-4-[[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-2-one
SMILESCCN1CC(CN(C)CCn2cnnc2)CC1=O
InChIInChI=1S/C12H21N5O/c1-3-17-8-11(6-12(17)18)7-15(2)4-5-16-9-13-14-10-16/h9-11H,3-8H2,1-2H3
InChIKeyPVUJHECXEFMYAU-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.08
Rot. Bonds6

About 1-ethyl-4-[[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-2-one

1-ethyl-4-[[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-2-one (PubChem CID 131897142) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-ethyl-4-[[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-2-one
PubChem CID131897142
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1-ethyl-4-[[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-2-one
SMILESCCN1CC(CN(C)CCn2cnnc2)CC1=O
InChIInChI=1S/C12H21N5O/c1-3-17-8-11(6-12(17)18)7-15(2)4-5-16-9-13-14-10-16/h9-11H,3-8H2,1-2H3
InChIKeyPVUJHECXEFMYAU-UHFFFAOYSA-N
XLogP0.08
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-ethyl-4-[[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-2-one (CID 131897142) is 1-ethyl-4-[[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-4-[[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-4-[[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-2-one is CCN1CC(CN(C)CCn2cnnc2)CC1=O.
What is the InChIKey of 1-ethyl-4-[[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-2-one?
The InChIKey is PVUJHECXEFMYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-17-8-11(6-12(17)18)7-15(2)4-5-16-9-13-14-10-16/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-ethyl-4-[[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-2-one?
1-ethyl-4-[[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-2-one has a molecular weight of 251.33 g/mol, XLogP of 0.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 131897142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).