1-[(1S)-cyclohexa-2,4-dien-1-yl]-2,4-dimethyl-1,2,4-triazolidine-3,5-dione

C10H13N3O2 — CID 163304623

IUPAC1-[(1S)-cyclohexa-2,4-dien-1-yl]-2,4-dimethyl-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)n(C)n([C@@H]2C=CC=CC2)c1=O
InChIInChI=1S/C10H13N3O2/c1-11-9(14)12(2)13(10(11)15)8-6-4-3-5-7-8/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyKFIAMYDGXNWTNY-MRVPVSSYSA-N
MW207.23 g/mol
LogP-0.06
Rot. Bonds1

About 1-[(1S)-cyclohexa-2,4-dien-1-yl]-2,4-dimethyl-1,2,4-triazolidine-3,5-dione

1-[(1S)-cyclohexa-2,4-dien-1-yl]-2,4-dimethyl-1,2,4-triazolidine-3,5-dione (PubChem CID 163304623) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[(1S)-cyclohexa-2,4-dien-1-yl]-2,4-dimethyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1-[(1S)-cyclohexa-2,4-dien-1-yl]-2,4-dimethyl-1,2,4-triazolidine-3,5-dione
PubChem CID163304623
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-[(1S)-cyclohexa-2,4-dien-1-yl]-2,4-dimethyl-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)n(C)n([C@@H]2C=CC=CC2)c1=O
InChIInChI=1S/C10H13N3O2/c1-11-9(14)12(2)13(10(11)15)8-6-4-3-5-7-8/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyKFIAMYDGXNWTNY-MRVPVSSYSA-N
XLogP-0.06
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(1S)-cyclohexa-2,4-dien-1-yl]-2,4-dimethyl-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

4-methyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 14764684
(5S,8R)-2,5,8-trimethyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
CID 91753988
4-methyl-2,4,6-triazatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5-dione
CID 90482740
1-[(1S,6S)-1,2,3,4,5,6-hexadeuteriocyclohexa-2,4-dien-1-yl]-2,4-dimethyl-1,2,4-triazolidine-3,5-dione
CID 163304613
1-[(1R)-cyclohexa-2,4-dien-1-yl]azetidine-3-carbonitrile
CID 97049665
11-methyl-9,11,13-triazapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione
CID 12678960
2-cyclohexa-2,4-dien-1-yl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 163950636
(1S,2S,7R,8S)-11-methyl-9,11,13-triazapentacyclo[6.5.2.23,6.02,7.09,13]heptadeca-4,14,16-triene-10,12-dione
CID 125034229
(1R,2R,7S,8S)-11-methyl-9,11,13-triazapentacyclo[6.5.2.22,7.02,7.09,13]heptadec-14-ene-10,12-dione
CID 23238489
2-cyclohexa-2,4-dien-1-ylbenzotriazole
CID 163963893
5,5-di(cyclohexa-2,4-dien-1-yl)-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 15532931
1-cyclohexa-2,4-dien-1-ylpiperazine
CID 71775128

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-cyclohexa-2,4-dien-1-yl]-2,4-dimethyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1-[(1S)-cyclohexa-2,4-dien-1-yl]-2,4-dimethyl-1,2,4-triazolidine-3,5-dione (CID 163304623) is 1-[(1S)-cyclohexa-2,4-dien-1-yl]-2,4-dimethyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1-[(1S)-cyclohexa-2,4-dien-1-yl]-2,4-dimethyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1-[(1S)-cyclohexa-2,4-dien-1-yl]-2,4-dimethyl-1,2,4-triazolidine-3,5-dione is Cn1c(=O)n(C)n([C@@H]2C=CC=CC2)c1=O.
What is the InChIKey of 1-[(1S)-cyclohexa-2,4-dien-1-yl]-2,4-dimethyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is KFIAMYDGXNWTNY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-11-9(14)12(2)13(10(11)15)8-6-4-3-5-7-8/h3-6,8H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of 1-[(1S)-cyclohexa-2,4-dien-1-yl]-2,4-dimethyl-1,2,4-triazolidine-3,5-dione?
1-[(1S)-cyclohexa-2,4-dien-1-yl]-2,4-dimethyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 207.23 g/mol, XLogP of -0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-cyclohexa-2,4-dien-1-yl]-2,4-dimethyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 163304623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).