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

C12H21N5O — CID 107530869

IUPAC5-[[4-[(2-methylpropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one
SMILESCC(C)CNCc1cn(CC2CCC(=O)N2)nn1
InChIInChI=1S/C12H21N5O/c1-9(2)5-13-6-11-8-17(16-15-11)7-10-3-4-12(18)14-10/h8-10,13H,3-7H2,1-2H3,(H,14,18)
InChIKeyYXWIDIILOBQSEY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.30
Rot. Bonds6

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

5-[[4-[(2-methylpropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 107530869) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[[4-[(2-methylpropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[4-[(2-methylpropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID107530869
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-[[4-[(2-methylpropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one
SMILESCC(C)CNCc1cn(CC2CCC(=O)N2)nn1
InChIInChI=1S/C12H21N5O/c1-9(2)5-13-6-11-8-17(16-15-11)7-10-3-4-12(18)14-10/h8-10,13H,3-7H2,1-2H3,(H,14,18)
InChIKeyYXWIDIILOBQSEY-UHFFFAOYSA-N
XLogP0.30
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one
CID 107530817
5-[[4-[(cyclopropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one
CID 107530867
methyl 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetate
CID 115876973
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
(5S)-5-[[4-(2-piperidin-1-ylethyl)triazol-1-yl]methyl]pyrrolidin-2-one
CID 167964801
N-cyclopropyl-N-ethyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide
CID 66192880
2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine
CID 62425058
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79218320
N-[[1-[2-(3-methoxypropoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 55073341
1-(2-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone
CID 66192287
1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone
CID 66192663
N-[[1-[2-[cyclobutylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62855866

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-methylpropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[4-[(2-methylpropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one (CID 107530869) is 5-[[4-[(2-methylpropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[4-[(2-methylpropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[4-[(2-methylpropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one is CC(C)CNCc1cn(CC2CCC(=O)N2)nn1.
What is the InChIKey of 5-[[4-[(2-methylpropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is YXWIDIILOBQSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9(2)5-13-6-11-8-17(16-15-11)7-10-3-4-12(18)14-10/h8-10,13H,3-7H2,1-2H3,(H,14,18).
What are the key properties of 5-[[4-[(2-methylpropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one?
5-[[4-[(2-methylpropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 251.33 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-methylpropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 107530869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).