5-[[4-[(cyclopropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one

C11H17N5O — CID 107530867

IUPAC5-[[4-[(cyclopropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCC(Cn2cc(CNC3CC3)nn2)N1
InChIInChI=1S/C11H17N5O/c17-11-4-3-9(13-11)6-16-7-10(14-15-16)5-12-8-1-2-8/h7-9,12H,1-6H2,(H,13,17)
InChIKeyRKOGYRDFSTZCOF-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.19
Rot. Bonds5

About 5-[[4-[(cyclopropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one

5-[[4-[(cyclopropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 107530867) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-[[4-[(cyclopropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[4-[(cyclopropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID107530867
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name5-[[4-[(cyclopropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCC(Cn2cc(CNC3CC3)nn2)N1
InChIInChI=1S/C11H17N5O/c17-11-4-3-9(13-11)6-16-7-10(14-15-16)5-12-8-1-2-8/h7-9,12H,1-6H2,(H,13,17)
InChIKeyRKOGYRDFSTZCOF-UHFFFAOYSA-N
XLogP-0.19
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[4-[(cyclopropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one
CID 107530817
5-[[4-[(2-methylpropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one
CID 107530869
(5S)-5-[[4-(2-piperidin-1-ylethyl)triazol-1-yl]methyl]pyrrolidin-2-one
CID 167964801
2-[4-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458743
N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
CID 66193410
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192433
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide
CID 66193582
2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol
CID 66268121
N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194177
N-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193798
N-[[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62421520

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(cyclopropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[4-[(cyclopropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one (CID 107530867) is 5-[[4-[(cyclopropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[4-[(cyclopropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[4-[(cyclopropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one is O=C1CCC(Cn2cc(CNC3CC3)nn2)N1.
What is the InChIKey of 5-[[4-[(cyclopropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is RKOGYRDFSTZCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c17-11-4-3-9(13-11)6-16-7-10(14-15-16)5-12-8-1-2-8/h7-9,12H,1-6H2,(H,13,17).
What are the key properties of 5-[[4-[(cyclopropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one?
5-[[4-[(cyclopropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 235.29 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(cyclopropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 107530867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).