3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpiperidine-2,6-dione

C11H17N5O3 — CID 66269271

IUPAC3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(NCc2cn(CCO)nn2)C1=O
InChIInChI=1S/C11H17N5O3/c1-15-10(18)3-2-9(11(15)19)12-6-8-7-16(4-5-17)14-13-8/h7,9,12,17H,2-6H2,1H3
InChIKeyKMOYAAHUTBITNR-UHFFFAOYSA-N
MW267.29 g/mol
LogP-1.49
Rot. Bonds5

About 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpiperidine-2,6-dione

3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpiperidine-2,6-dione (PubChem CID 66269271) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpiperidine-2,6-dione
PubChem CID66269271
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(NCc2cn(CCO)nn2)C1=O
InChIInChI=1S/C11H17N5O3/c1-15-10(18)3-2-9(11(15)19)12-6-8-7-16(4-5-17)14-13-8/h7,9,12,17H,2-6H2,1H3
InChIKeyKMOYAAHUTBITNR-UHFFFAOYSA-N
XLogP-1.49
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpyrrolidin-2-one
CID 106253571
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]azepan-2-one
CID 66268661
1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid
CID 103255513
2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
CID 115460043
2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol
CID 66268121
2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol
CID 66269974
2-[4-[[(3-ethoxycyclobutyl)amino]methyl]triazol-1-yl]ethanol
CID 114118855
2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide
CID 66269796
2-[4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]triazol-1-yl]ethanol
CID 66268448
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-methylpiperidine-2,6-dione
CID 83090356
2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol
CID 66269246
2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol
CID 66268500

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpiperidine-2,6-dione (CID 66269271) is 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpiperidine-2,6-dione is CN1C(=O)CCC(NCc2cn(CCO)nn2)C1=O.
What is the InChIKey of 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpiperidine-2,6-dione?
The InChIKey is KMOYAAHUTBITNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-15-10(18)3-2-9(11(15)19)12-6-8-7-16(4-5-17)14-13-8/h7,9,12,17H,2-6H2,1H3.
What are the key properties of 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpiperidine-2,6-dione?
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpiperidine-2,6-dione has a molecular weight of 267.29 g/mol, XLogP of -1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 66269271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).