4-methyl-1-[(1R,2R)-2-phenyl-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione

C19H17N3O2 — CID 139316211

IUPAC4-methyl-1-[(1R,2R)-2-phenyl-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)[nH]n([C@H]2c3ccccc3C=C[C@@H]2c2ccccc2)c1=O
InChIInChI=1S/C19H17N3O2/c1-21-18(23)20-22(19(21)24)17-15-10-6-5-9-14(15)11-12-16(17)13-7-3-2-4-8-13/h2-12,16-17H,1H3,(H,20,23)/t16-,17+/m1/s1
InChIKeyGUUSENJTVVFHSM-SJORKVTESA-N
MW319.36 g/mol
LogP2.28
Rot. Bonds2

About 4-methyl-1-[(1R,2R)-2-phenyl-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione

4-methyl-1-[(1R,2R)-2-phenyl-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione (PubChem CID 139316211) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-methyl-1-[(1R,2R)-2-phenyl-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-methyl-1-[(1R,2R)-2-phenyl-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione
PubChem CID139316211
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-methyl-1-[(1R,2R)-2-phenyl-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)[nH]n([C@H]2c3ccccc3C=C[C@@H]2c2ccccc2)c1=O
InChIInChI=1S/C19H17N3O2/c1-21-18(23)20-22(19(21)24)17-15-10-6-5-9-14(15)11-12-16(17)13-7-3-2-4-8-13/h2-12,16-17H,1H3,(H,20,23)/t16-,17+/m1/s1
InChIKeyGUUSENJTVVFHSM-SJORKVTESA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1R,2R)-2-phenyl-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-methyl-1-[(1R,2R)-2-phenyl-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione (CID 139316211) is 4-methyl-1-[(1R,2R)-2-phenyl-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-methyl-1-[(1R,2R)-2-phenyl-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-methyl-1-[(1R,2R)-2-phenyl-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione is Cn1c(=O)[nH]n([C@H]2c3ccccc3C=C[C@@H]2c2ccccc2)c1=O.
What is the InChIKey of 4-methyl-1-[(1R,2R)-2-phenyl-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is GUUSENJTVVFHSM-SJORKVTESA-N. The full InChI is InChI=1S/C19H17N3O2/c1-21-18(23)20-22(19(21)24)17-15-10-6-5-9-14(15)11-12-16(17)13-7-3-2-4-8-13/h2-12,16-17H,1H3,(H,20,23)/t16-,17+/m1/s1.
What are the key properties of 4-methyl-1-[(1R,2R)-2-phenyl-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione?
4-methyl-1-[(1R,2R)-2-phenyl-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 319.36 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1R,2R)-2-phenyl-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 139316211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).