1-methyl-2-prop-2-enyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione

C14H18N4O2 — CID 18717210

IUPAC1-methyl-2-prop-2-enyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione
SMILESC=CCn1c(=O)n(-c2nc(C)c(C)cc2C)c(=O)n1C
InChIInChI=1S/C14H18N4O2/c1-6-7-17-14(20)18(13(19)16(17)5)12-10(3)8-9(2)11(4)15-12/h6,8H,1,7H2,2-5H3
InChIKeyQJXLTTUBQQJXPX-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.84
Rot. Bonds3

About 1-methyl-2-prop-2-enyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione

1-methyl-2-prop-2-enyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione (PubChem CID 18717210) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-methyl-2-prop-2-enyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1-methyl-2-prop-2-enyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione
PubChem CID18717210
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-methyl-2-prop-2-enyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione
SMILESC=CCn1c(=O)n(-c2nc(C)c(C)cc2C)c(=O)n1C
InChIInChI=1S/C14H18N4O2/c1-6-7-17-14(20)18(13(19)16(17)5)12-10(3)8-9(2)11(4)15-12/h6,8H,1,7H2,2-5H3
InChIKeyQJXLTTUBQQJXPX-UHFFFAOYSA-N
XLogP0.84
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-prop-2-enyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1-methyl-2-prop-2-enyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione (CID 18717210) is 1-methyl-2-prop-2-enyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1-methyl-2-prop-2-enyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1-methyl-2-prop-2-enyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione is C=CCn1c(=O)n(-c2nc(C)c(C)cc2C)c(=O)n1C.
What is the InChIKey of 1-methyl-2-prop-2-enyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is QJXLTTUBQQJXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-6-7-17-14(20)18(13(19)16(17)5)12-10(3)8-9(2)11(4)15-12/h6,8H,1,7H2,2-5H3.
What are the key properties of 1-methyl-2-prop-2-enyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione?
1-methyl-2-prop-2-enyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 274.32 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-prop-2-enyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 18717210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).