4-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)benzene-1,3-diol

C15H15N5O2 — CID 137295266

IUPAC4-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)benzene-1,3-diol
SMILESCc1[nH]nc2c1C(c1ccc(O)cc1O)c1c(n[nH]c1C)N2
InChIInChI=1S/C15H15N5O2/c1-6-11-13(9-4-3-8(21)5-10(9)22)12-7(2)18-20-15(12)16-14(11)19-17-6/h3-5,13,21-22H,1-2H3,(H3,16,17,18,19,20)
InChIKeyUBMWOSKAIOSHEW-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.40
Rot. Bonds1

About 4-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)benzene-1,3-diol

4-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)benzene-1,3-diol (PubChem CID 137295266) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)benzene-1,3-diol
PubChem CID137295266
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name4-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)benzene-1,3-diol
SMILESCc1[nH]nc2c1C(c1ccc(O)cc1O)c1c(n[nH]c1C)N2
InChIInChI=1S/C15H15N5O2/c1-6-11-13(9-4-3-8(21)5-10(9)22)12-7(2)18-20-15(12)16-14(11)19-17-6/h3-5,13,21-22H,1-2H3,(H3,16,17,18,19,20)
InChIKeyUBMWOSKAIOSHEW-UHFFFAOYSA-N
XLogP2.40
TPSA109.85 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)benzene-1,3-diol 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-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)benzene-1,3-diol?
The IUPAC name of 4-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)benzene-1,3-diol (CID 137295266) is 4-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)benzene-1,3-diol?
The canonical SMILES for 4-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)benzene-1,3-diol is Cc1[nH]nc2c1C(c1ccc(O)cc1O)c1c(n[nH]c1C)N2.
What is the InChIKey of 4-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)benzene-1,3-diol?
The InChIKey is UBMWOSKAIOSHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-6-11-13(9-4-3-8(21)5-10(9)22)12-7(2)18-20-15(12)16-14(11)19-17-6/h3-5,13,21-22H,1-2H3,(H3,16,17,18,19,20).
What are the key properties of 4-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)benzene-1,3-diol?
4-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)benzene-1,3-diol has a molecular weight of 297.32 g/mol, XLogP of 2.40, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)benzene-1,3-diol is sourced from PubChem (CID 137295266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).