2-(1-methyltriazol-4-yl)morpholine-3,5-dione

C7H8N4O3 — CID 154633985

IUPAC2-(1-methyltriazol-4-yl)morpholine-3,5-dione
SMILESCn1cc(C2OCC(=O)NC2=O)nn1
InChIInChI=1S/C7H8N4O3/c1-11-2-4(9-10-11)6-7(13)8-5(12)3-14-6/h2,6H,3H2,1H3,(H,8,12,13)
InChIKeyUIAXPRSBMYYTMT-UHFFFAOYSA-N
MW196.17 g/mol
LogP-1.47
Rot. Bonds1

About 2-(1-methyltriazol-4-yl)morpholine-3,5-dione

2-(1-methyltriazol-4-yl)morpholine-3,5-dione (PubChem CID 154633985) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)morpholine-3,5-dione.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)morpholine-3,5-dione
PubChem CID154633985
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name2-(1-methyltriazol-4-yl)morpholine-3,5-dione
SMILESCn1cc(C2OCC(=O)NC2=O)nn1
InChIInChI=1S/C7H8N4O3/c1-11-2-4(9-10-11)6-7(13)8-5(12)3-14-6/h2,6H,3H2,1H3,(H,8,12,13)
InChIKeyUIAXPRSBMYYTMT-UHFFFAOYSA-N
XLogP-1.47
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(1-methyltriazol-4-yl)piperidine-2,6-dione
CID 130599132
2-(1-methyltriazol-4-yl)oxolane-3-carboxylic acid
CID 126985099
(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
2-(1-methyltriazol-4-yl)oxan-4-ol
CID 130599146
4-methyl-2-(1-methyltriazol-4-yl)-1,3-thiazolidine
CID 130599104
4-(3-chlorocycloheptyl)-1-methyltriazole
CID 130603192
1-methyl-4-[(3R)-oxan-3-yl]triazole
CID 164914057
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 2-(1-methyltriazol-4-yl)morpholine-3,5-dione?
The IUPAC name of 2-(1-methyltriazol-4-yl)morpholine-3,5-dione (CID 154633985) is 2-(1-methyltriazol-4-yl)morpholine-3,5-dione.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)morpholine-3,5-dione?
The canonical SMILES for 2-(1-methyltriazol-4-yl)morpholine-3,5-dione is Cn1cc(C2OCC(=O)NC2=O)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)morpholine-3,5-dione?
The InChIKey is UIAXPRSBMYYTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c1-11-2-4(9-10-11)6-7(13)8-5(12)3-14-6/h2,6H,3H2,1H3,(H,8,12,13).
What are the key properties of 2-(1-methyltriazol-4-yl)morpholine-3,5-dione?
2-(1-methyltriazol-4-yl)morpholine-3,5-dione has a molecular weight of 196.17 g/mol, XLogP of -1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltriazol-4-yl)morpholine-3,5-dione is sourced from PubChem (CID 154633985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).