1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one

C12H19N5O2 — CID 66193160

IUPAC1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one
SMILESCCCNCc1cn(CC(=O)N2CCCC2=O)nn1
InChIInChI=1S/C12H19N5O2/c1-2-5-13-7-10-8-16(15-14-10)9-12(19)17-6-3-4-11(17)18/h8,13H,2-7,9H2,1H3
InChIKeyHMKBCAVGYJIHJL-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.07
Rot. Bonds6

About 1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one

1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one (PubChem CID 66193160) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one
PubChem CID66193160
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one
SMILESCCCNCc1cn(CC(=O)N2CCCC2=O)nn1
InChIInChI=1S/C12H19N5O2/c1-2-5-13-7-10-8-16(15-14-10)9-12(19)17-6-3-4-11(17)18/h8,13H,2-7,9H2,1H3
InChIKeyHMKBCAVGYJIHJL-UHFFFAOYSA-N
XLogP-0.07
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one (CID 66193160) is 1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one is CCCNCc1cn(CC(=O)N2CCCC2=O)nn1.
What is the InChIKey of 1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one?
The InChIKey is HMKBCAVGYJIHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-2-5-13-7-10-8-16(15-14-10)9-12(19)17-6-3-4-11(17)18/h8,13H,2-7,9H2,1H3.
What are the key properties of 1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one?
1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one has a molecular weight of 265.32 g/mol, XLogP of -0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one is sourced from PubChem (CID 66193160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).