4-(1-methyltriazol-4-yl)piperidine-2,6-dione

C8H10N4O2 — CID 130599132

IUPAC4-(1-methyltriazol-4-yl)piperidine-2,6-dione
SMILESCn1cc(C2CC(=O)NC(=O)C2)nn1
InChIInChI=1S/C8H10N4O2/c1-12-4-6(10-11-12)5-2-7(13)9-8(14)3-5/h4-5H,2-3H2,1H3,(H,9,13,14)
InChIKeyFOUMAHLCVPYCLX-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.66
Rot. Bonds1

About 4-(1-methyltriazol-4-yl)piperidine-2,6-dione

4-(1-methyltriazol-4-yl)piperidine-2,6-dione (PubChem CID 130599132) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-(1-methyltriazol-4-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-(1-methyltriazol-4-yl)piperidine-2,6-dione
PubChem CID130599132
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name4-(1-methyltriazol-4-yl)piperidine-2,6-dione
SMILESCn1cc(C2CC(=O)NC(=O)C2)nn1
InChIInChI=1S/C8H10N4O2/c1-12-4-6(10-11-12)5-2-7(13)9-8(14)3-5/h4-5H,2-3H2,1H3,(H,9,13,14)
InChIKeyFOUMAHLCVPYCLX-UHFFFAOYSA-N
XLogP-0.66
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methyltriazol-4-yl)morpholine-3,5-dione
CID 154633985
(2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one
CID 164725953
2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one
CID 175903666
2-ethyl-6-(1-methyltriazol-4-yl)piperidin-4-one
CID 163506754
2-cyclopropyl-6-(1-methyltriazol-4-yl)piperidin-4-one
CID 175445816
4-(1-propan-2-yltriazol-4-yl)pyrrolidin-2-one
CID 130549123
4-(3-chlorocycloheptyl)-1-methyltriazole
CID 130603192
1-methyl-4-[(3R)-oxan-3-yl]triazole
CID 164914057
4-methyl-2-(1-methyltriazol-4-yl)-1,3-thiazolidine
CID 130599104
cis-(3S,5R)-3-methyl-5-(1-methyltriazol-4-yl)-4-prop-2-enylcyclohexan-1-one
CID 177071389
N-methyl-1-[2-(1-methyltriazol-4-yl)cyclopropyl]methanamine
CID 130599121
4-[3-(bromomethyl)-2,2-dimethylcyclopropyl]-1-methyltriazole
CID 130599217

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyltriazol-4-yl)piperidine-2,6-dione?
The IUPAC name of 4-(1-methyltriazol-4-yl)piperidine-2,6-dione (CID 130599132) is 4-(1-methyltriazol-4-yl)piperidine-2,6-dione.
What is the SMILES notation for 4-(1-methyltriazol-4-yl)piperidine-2,6-dione?
The canonical SMILES for 4-(1-methyltriazol-4-yl)piperidine-2,6-dione is Cn1cc(C2CC(=O)NC(=O)C2)nn1.
What is the InChIKey of 4-(1-methyltriazol-4-yl)piperidine-2,6-dione?
The InChIKey is FOUMAHLCVPYCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-12-4-6(10-11-12)5-2-7(13)9-8(14)3-5/h4-5H,2-3H2,1H3,(H,9,13,14).
What are the key properties of 4-(1-methyltriazol-4-yl)piperidine-2,6-dione?
4-(1-methyltriazol-4-yl)piperidine-2,6-dione has a molecular weight of 194.19 g/mol, XLogP of -0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyltriazol-4-yl)piperidine-2,6-dione is sourced from PubChem (CID 130599132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).