1-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]ethyl]pyrrolidin-2-one

C13H23N5O2 — CID 91828764

IUPAC1-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]ethyl]pyrrolidin-2-one
SMILESCOCCn1cnnc1CN(C)CCN1CCCC1=O
InChIInChI=1S/C13H23N5O2/c1-16(6-7-17-5-3-4-13(17)19)10-12-15-14-11-18(12)8-9-20-2/h11H,3-10H2,1-2H3
InChIKeyLPVWHESFWTVNGO-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.02
Rot. Bonds8

About 1-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]ethyl]pyrrolidin-2-one

1-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]ethyl]pyrrolidin-2-one (PubChem CID 91828764) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]ethyl]pyrrolidin-2-one
PubChem CID91828764
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name1-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]ethyl]pyrrolidin-2-one
SMILESCOCCn1cnnc1CN(C)CCN1CCCC1=O
InChIInChI=1S/C13H23N5O2/c1-16(6-7-17-5-3-4-13(17)19)10-12-15-14-11-18(12)8-9-20-2/h11H,3-10H2,1-2H3
InChIKeyLPVWHESFWTVNGO-UHFFFAOYSA-N
XLogP-0.02
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]ethyl]pyrrolidin-2-one (CID 91828764) is 1-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]ethyl]pyrrolidin-2-one is COCCn1cnnc1CN(C)CCN1CCCC1=O.
What is the InChIKey of 1-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]ethyl]pyrrolidin-2-one?
The InChIKey is LPVWHESFWTVNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-16(6-7-17-5-3-4-13(17)19)10-12-15-14-11-18(12)8-9-20-2/h11H,3-10H2,1-2H3.
What are the key properties of 1-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]ethyl]pyrrolidin-2-one?
1-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]ethyl]pyrrolidin-2-one has a molecular weight of 281.36 g/mol, XLogP of -0.02, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 91828764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).