11-hydroxy-8-methyl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaen-13-one

C11H9N3O2 — CID 54688719

IUPAC11-hydroxy-8-methyl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaen-13-one
SMILESCn1c2ncccc2n2c(=O)cc(O)cc12
InChIInChI=1S/C11H9N3O2/c1-13-9-5-7(15)6-10(16)14(9)8-3-2-4-12-11(8)13/h2-6,15H,1H3
InChIKeyBDQBPXMWPHGVGH-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.89
Rot. Bonds

About 11-hydroxy-8-methyl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaen-13-one

11-hydroxy-8-methyl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaen-13-one (PubChem CID 54688719) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 11-hydroxy-8-methyl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaen-13-one.

Molecular Properties

Compound Name11-hydroxy-8-methyl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaen-13-one
PubChem CID54688719
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name11-hydroxy-8-methyl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaen-13-one
SMILESCn1c2ncccc2n2c(=O)cc(O)cc12
InChIInChI=1S/C11H9N3O2/c1-13-9-5-7(15)6-10(16)14(9)8-3-2-4-12-11(8)13/h2-6,15H,1H3
InChIKeyBDQBPXMWPHGVGH-UHFFFAOYSA-N
XLogP0.89
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-8-methyl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaen-13-one?
The IUPAC name of 11-hydroxy-8-methyl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaen-13-one (CID 54688719) is 11-hydroxy-8-methyl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaen-13-one.
What is the SMILES notation for 11-hydroxy-8-methyl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaen-13-one?
The canonical SMILES for 11-hydroxy-8-methyl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaen-13-one is Cn1c2ncccc2n2c(=O)cc(O)cc12.
What is the InChIKey of 11-hydroxy-8-methyl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaen-13-one?
The InChIKey is BDQBPXMWPHGVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-13-9-5-7(15)6-10(16)14(9)8-3-2-4-12-11(8)13/h2-6,15H,1H3.
What are the key properties of 11-hydroxy-8-methyl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaen-13-one?
11-hydroxy-8-methyl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaen-13-one has a molecular weight of 215.21 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-8-methyl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaen-13-one is sourced from PubChem (CID 54688719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).