1-(2-methylpropyl)-4-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one

C14H24N4O — CID 50948113

IUPAC1-(2-methylpropyl)-4-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one
SMILESCC(C)Cc1nc(C2CC(=O)N(CC(C)C)C2)n[nH]1
InChIInChI=1S/C14H24N4O/c1-9(2)5-12-15-14(17-16-12)11-6-13(19)18(8-11)7-10(3)4/h9-11H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyWZGDNJOSHCTUJF-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.98
Rot. Bonds5

About 1-(2-methylpropyl)-4-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one

1-(2-methylpropyl)-4-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one (PubChem CID 50948113) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one
PubChem CID50948113
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-(2-methylpropyl)-4-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one
SMILESCC(C)Cc1nc(C2CC(=O)N(CC(C)C)C2)n[nH]1
InChIInChI=1S/C14H24N4O/c1-9(2)5-12-15-14(17-16-12)11-6-13(19)18(8-11)7-10(3)4/h9-11H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyWZGDNJOSHCTUJF-UHFFFAOYSA-N
XLogP1.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2-methylpropyl)-4-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one (CID 50948113) is 1-(2-methylpropyl)-4-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-4-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-4-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one is CC(C)Cc1nc(C2CC(=O)N(CC(C)C)C2)n[nH]1.
What is the InChIKey of 1-(2-methylpropyl)-4-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one?
The InChIKey is WZGDNJOSHCTUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9(2)5-12-15-14(17-16-12)11-6-13(19)18(8-11)7-10(3)4/h9-11H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 1-(2-methylpropyl)-4-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one?
1-(2-methylpropyl)-4-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 50948113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).