8-benzyl-4-methyl-4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),11,13-tetraene-3,5-dione

C19H17N3O2 — CID 23251613

IUPAC8-benzyl-4-methyl-4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),11,13-tetraene-3,5-dione
SMILESCn1c(=O)[nH]c2c(c3c(n2Cc2ccccc2)CC=CC=C3)c1=O
InChIInChI=1S/C19H17N3O2/c1-21-18(23)16-14-10-6-3-7-11-15(14)22(17(16)20-19(21)24)12-13-8-4-2-5-9-13/h2-10H,11-12H2,1H3,(H,20,24)
InChIKeyIRIAWVVXICLVAE-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.20
Rot. Bonds2

About 8-benzyl-4-methyl-4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),11,13-tetraene-3,5-dione

8-benzyl-4-methyl-4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),11,13-tetraene-3,5-dione (PubChem CID 23251613) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 8-benzyl-4-methyl-4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),11,13-tetraene-3,5-dione.

Molecular Properties

Compound Name8-benzyl-4-methyl-4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),11,13-tetraene-3,5-dione
PubChem CID23251613
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name8-benzyl-4-methyl-4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),11,13-tetraene-3,5-dione
SMILESCn1c(=O)[nH]c2c(c3c(n2Cc2ccccc2)CC=CC=C3)c1=O
InChIInChI=1S/C19H17N3O2/c1-21-18(23)16-14-10-6-3-7-11-15(14)22(17(16)20-19(21)24)12-13-8-4-2-5-9-13/h2-10H,11-12H2,1H3,(H,20,24)
InChIKeyIRIAWVVXICLVAE-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-benzyl-4-methyl-4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),11,13-tetraene-3,5-dione with MolForge

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Related Compounds

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CID 662013
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CID 135891340
1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione
CID 11975773
9-benzyl-8-methyl-1-propan-2-yl-3H-purine-2,6-dione
CID 10614021
5-benzyl-6-(4-hydroxypiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
CID 3954521
4-benzyl-1,2,4-thiadiazolidine-3,5-dione
CID 22507205
3-benzyl-6-imino-7-methyl-9H-purin-8-one
CID 135460769
7-benzyl-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
CID 1089313
9-benzyl-1-propyl-3H-purine-2,6-dione
CID 102076593
7-[4-(azepan-1-ylsulfonyl)phenyl]-1-benzyl-3-methyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 3627624
6-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-benzyl-3-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 52946149
7-benzyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione
CID 679995

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-4-methyl-4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),11,13-tetraene-3,5-dione?
The IUPAC name of 8-benzyl-4-methyl-4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),11,13-tetraene-3,5-dione (CID 23251613) is 8-benzyl-4-methyl-4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),11,13-tetraene-3,5-dione.
What is the SMILES notation for 8-benzyl-4-methyl-4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),11,13-tetraene-3,5-dione?
The canonical SMILES for 8-benzyl-4-methyl-4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),11,13-tetraene-3,5-dione is Cn1c(=O)[nH]c2c(c3c(n2Cc2ccccc2)CC=CC=C3)c1=O.
What is the InChIKey of 8-benzyl-4-methyl-4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),11,13-tetraene-3,5-dione?
The InChIKey is IRIAWVVXICLVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-21-18(23)16-14-10-6-3-7-11-15(14)22(17(16)20-19(21)24)12-13-8-4-2-5-9-13/h2-10H,11-12H2,1H3,(H,20,24).
What are the key properties of 8-benzyl-4-methyl-4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),11,13-tetraene-3,5-dione?
8-benzyl-4-methyl-4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),11,13-tetraene-3,5-dione has a molecular weight of 319.36 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-4-methyl-4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),11,13-tetraene-3,5-dione is sourced from PubChem (CID 23251613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).