1,2-dimethyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione

C12H16N4O2 — CID 18717185

IUPAC1,2-dimethyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione
SMILESCc1cc(C)c(-n2c(=O)n(C)n(C)c2=O)nc1C
InChIInChI=1S/C12H16N4O2/c1-7-6-8(2)10(13-9(7)3)16-11(17)14(4)15(5)12(16)18/h6H,1-5H3
InChIKeyJLOVHQWHJQRBGM-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.19
Rot. Bonds1

About 1,2-dimethyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione

1,2-dimethyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione (PubChem CID 18717185) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1,2-dimethyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1,2-dimethyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione
PubChem CID18717185
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1,2-dimethyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione
SMILESCc1cc(C)c(-n2c(=O)n(C)n(C)c2=O)nc1C
InChIInChI=1S/C12H16N4O2/c1-7-6-8(2)10(13-9(7)3)16-11(17)14(4)15(5)12(16)18/h6H,1-5H3
InChIKeyJLOVHQWHJQRBGM-UHFFFAOYSA-N
XLogP0.19
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,2-dimethyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Diisopropylaminoethyl)-N-(4,6-dimethyl-2-pyridyl)-N',N'-dimethylurea
CID 173407
1-(4,6-Dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea
CID 12857641
1-(4,6-Dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride
CID 12857642
2-Pyridinamine, 4,6-dimethyl-N-(1-methyl-2-pyrrolidinylidene)-
CID 9588636
1-(4,6-Dimethyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]urea;hydrochloride
CID 12857665
1-(4,6-Dimethyl-2-pyridinyl)-1-[3-[di(propan-2-yl)amino]propyl]-3,3-dimethylurea;dihydrobromide
CID 12857672
1-(4,6-Dimethyl-2-pyridinyl)-1-[4-[di(propan-2-yl)amino]butyl]-3,3-dimethylurea
CID 12857678
1-[2-(Dimethylamino)ethyl]-1-(4,6-dimethyl-2-pyridinyl)-3,3-dimethylurea;hydrochloride
CID 49860945
1-[2-[Di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-[6-methyl-4-(trideuteriomethyl)-2-pyridinyl]urea
CID 71458113
3-(4,6-Dimethyl-2-pyridinyl)-1-ethyl-1-(2-methylprop-2-enyl)urea
CID 75485051
N-(4,6-dimethyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 75523331
(3R,4S)-3-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-3,4-dimethylpyrrolidine-1-carboxamide
CID 137998076

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1,2-dimethyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione (CID 18717185) is 1,2-dimethyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1,2-dimethyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1,2-dimethyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione is Cc1cc(C)c(-n2c(=O)n(C)n(C)c2=O)nc1C.
What is the InChIKey of 1,2-dimethyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is JLOVHQWHJQRBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7-6-8(2)10(13-9(7)3)16-11(17)14(4)15(5)12(16)18/h6H,1-5H3.
What are the key properties of 1,2-dimethyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione?
1,2-dimethyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 248.29 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(3,5,6-trimethyl-2-pyridinyl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 18717185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).