4,4-dimethyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione

C10H14N4O2 — CID 60977441

IUPAC4,4-dimethyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione
SMILESCC1(C)CC(=O)N(Cc2ncn[nH]2)C(=O)C1
InChIInChI=1S/C10H14N4O2/c1-10(2)3-8(15)14(9(16)4-10)5-7-11-6-12-13-7/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyYHIDUEDHHLOMOS-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.48
Rot. Bonds2

About 4,4-dimethyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione

4,4-dimethyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione (PubChem CID 60977441) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4,4-dimethyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4,4-dimethyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione
PubChem CID60977441
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name4,4-dimethyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione
SMILESCC1(C)CC(=O)N(Cc2ncn[nH]2)C(=O)C1
InChIInChI=1S/C10H14N4O2/c1-10(2)3-8(15)14(9(16)4-10)5-7-11-6-12-13-7/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyYHIDUEDHHLOMOS-UHFFFAOYSA-N
XLogP0.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione?
The IUPAC name of 4,4-dimethyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione (CID 60977441) is 4,4-dimethyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione.
What is the SMILES notation for 4,4-dimethyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione?
The canonical SMILES for 4,4-dimethyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione is CC1(C)CC(=O)N(Cc2ncn[nH]2)C(=O)C1.
What is the InChIKey of 4,4-dimethyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione?
The InChIKey is YHIDUEDHHLOMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-10(2)3-8(15)14(9(16)4-10)5-7-11-6-12-13-7/h6H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 4,4-dimethyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione?
4,4-dimethyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione has a molecular weight of 222.25 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione is sourced from PubChem (CID 60977441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).