4-methyl-1-[(1S,6R)-6-naphthalen-2-ylcyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione

C19H17N3O2 — CID 139316563

IUPAC4-methyl-1-[(1S,6R)-6-naphthalen-2-ylcyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)[nH]n([C@H]2C=CC=C[C@@H]2c2ccc3ccccc3c2)c1=O
InChIInChI=1S/C19H17N3O2/c1-21-18(23)20-22(19(21)24)17-9-5-4-8-16(17)15-11-10-13-6-2-3-7-14(13)12-15/h2-12,16-17H,1H3,(H,20,23)/t16-,17+/m1/s1
InChIKeyXVCYSVUHTWASLY-SJORKVTESA-N
MW319.36 g/mol
LogP2.48
Rot. Bonds2

About 4-methyl-1-[(1S,6R)-6-naphthalen-2-ylcyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione

4-methyl-1-[(1S,6R)-6-naphthalen-2-ylcyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione (PubChem CID 139316563) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-methyl-1-[(1S,6R)-6-naphthalen-2-ylcyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-methyl-1-[(1S,6R)-6-naphthalen-2-ylcyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione
PubChem CID139316563
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-methyl-1-[(1S,6R)-6-naphthalen-2-ylcyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)[nH]n([C@H]2C=CC=C[C@@H]2c2ccc3ccccc3c2)c1=O
InChIInChI=1S/C19H17N3O2/c1-21-18(23)20-22(19(21)24)17-9-5-4-8-16(17)15-11-10-13-6-2-3-7-14(13)12-15/h2-12,16-17H,1H3,(H,20,23)/t16-,17+/m1/s1
InChIKeyXVCYSVUHTWASLY-SJORKVTESA-N
XLogP2.48
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-[(1S,6R)-6-naphthalen-2-ylcyclohexa-2,4-dien-1-yl]-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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1S,6R)-6-naphthalen-2-ylcyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-methyl-1-[(1S,6R)-6-naphthalen-2-ylcyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione (CID 139316563) is 4-methyl-1-[(1S,6R)-6-naphthalen-2-ylcyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-methyl-1-[(1S,6R)-6-naphthalen-2-ylcyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-methyl-1-[(1S,6R)-6-naphthalen-2-ylcyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione is Cn1c(=O)[nH]n([C@H]2C=CC=C[C@@H]2c2ccc3ccccc3c2)c1=O.
What is the InChIKey of 4-methyl-1-[(1S,6R)-6-naphthalen-2-ylcyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is XVCYSVUHTWASLY-SJORKVTESA-N. The full InChI is InChI=1S/C19H17N3O2/c1-21-18(23)20-22(19(21)24)17-9-5-4-8-16(17)15-11-10-13-6-2-3-7-14(13)12-15/h2-12,16-17H,1H3,(H,20,23)/t16-,17+/m1/s1.
What are the key properties of 4-methyl-1-[(1S,6R)-6-naphthalen-2-ylcyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione?
4-methyl-1-[(1S,6R)-6-naphthalen-2-ylcyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 319.36 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1S,6R)-6-naphthalen-2-ylcyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 139316563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).