2-methyl-6-phenyl-5-propan-2-yl-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1(10),3(8),4-triene-7,9-dione

C22H25N3O2 — CID 130200323

IUPAC2-methyl-6-phenyl-5-propan-2-yl-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1(10),3(8),4-triene-7,9-dione
SMILESCC(C)c1nc2c(c(=O)c3c(n2C)CCCCC3)c(=O)n1-c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-14(2)20-23-21-18(22(27)25(20)15-10-6-4-7-11-15)19(26)16-12-8-5-9-13-17(16)24(21)3/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3
InChIKeyLRVOTIFBBXZWQE-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.48
Rot. Bonds2

About 2-methyl-6-phenyl-5-propan-2-yl-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1(10),3(8),4-triene-7,9-dione

2-methyl-6-phenyl-5-propan-2-yl-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1(10),3(8),4-triene-7,9-dione (PubChem CID 130200323) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-methyl-6-phenyl-5-propan-2-yl-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1(10),3(8),4-triene-7,9-dione.

Molecular Properties

Compound Name2-methyl-6-phenyl-5-propan-2-yl-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1(10),3(8),4-triene-7,9-dione
PubChem CID130200323
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-methyl-6-phenyl-5-propan-2-yl-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1(10),3(8),4-triene-7,9-dione
SMILESCC(C)c1nc2c(c(=O)c3c(n2C)CCCCC3)c(=O)n1-c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-14(2)20-23-21-18(22(27)25(20)15-10-6-4-7-11-15)19(26)16-12-8-5-9-13-17(16)24(21)3/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3
InChIKeyLRVOTIFBBXZWQE-UHFFFAOYSA-N
XLogP3.48
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-6-phenyl-5-propan-2-yl-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1(10),3(8),4-triene-7,9-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-5-propan-2-yl-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1(10),3(8),4-triene-7,9-dione?
The IUPAC name of 2-methyl-6-phenyl-5-propan-2-yl-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1(10),3(8),4-triene-7,9-dione (CID 130200323) is 2-methyl-6-phenyl-5-propan-2-yl-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1(10),3(8),4-triene-7,9-dione.
What is the SMILES notation for 2-methyl-6-phenyl-5-propan-2-yl-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1(10),3(8),4-triene-7,9-dione?
The canonical SMILES for 2-methyl-6-phenyl-5-propan-2-yl-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1(10),3(8),4-triene-7,9-dione is CC(C)c1nc2c(c(=O)c3c(n2C)CCCCC3)c(=O)n1-c1ccccc1.
What is the InChIKey of 2-methyl-6-phenyl-5-propan-2-yl-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1(10),3(8),4-triene-7,9-dione?
The InChIKey is LRVOTIFBBXZWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14(2)20-23-21-18(22(27)25(20)15-10-6-4-7-11-15)19(26)16-12-8-5-9-13-17(16)24(21)3/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3.
What are the key properties of 2-methyl-6-phenyl-5-propan-2-yl-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1(10),3(8),4-triene-7,9-dione?
2-methyl-6-phenyl-5-propan-2-yl-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1(10),3(8),4-triene-7,9-dione has a molecular weight of 363.46 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-5-propan-2-yl-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1(10),3(8),4-triene-7,9-dione is sourced from PubChem (CID 130200323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).