10-methyl-5-(3,4,5-trimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C16H16N6O3 — CID 942892

IUPAC10-methyl-5-(3,4,5-trimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCOc1cc(-c2nnc3c4cnn(C)c4ncn23)cc(OC)c1OC
InChIInChI=1S/C16H16N6O3/c1-21-15-10(7-18-21)16-20-19-14(22(16)8-17-15)9-5-11(23-2)13(25-4)12(6-9)24-3/h5-8H,1-4H3
InChIKeyPXQIUQNPEKPIMX-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.70
Rot. Bonds4

About 10-methyl-5-(3,4,5-trimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-methyl-5-(3,4,5-trimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 942892) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 10-methyl-5-(3,4,5-trimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-methyl-5-(3,4,5-trimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID942892
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name10-methyl-5-(3,4,5-trimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCOc1cc(-c2nnc3c4cnn(C)c4ncn23)cc(OC)c1OC
InChIInChI=1S/C16H16N6O3/c1-21-15-10(7-18-21)16-20-19-14(22(16)8-17-15)9-5-11(23-2)13(25-4)12(6-9)24-3/h5-8H,1-4H3
InChIKeyPXQIUQNPEKPIMX-UHFFFAOYSA-N
XLogP1.70
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 10-methyl-5-(3,4,5-trimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Related Compounds

10-methyl-5-(3,4,5-triethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4041000
10-methyl-5-(4-methylphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 753565
6-chloro-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080069
10-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 2014545
5-(2,4-dimethoxyphenyl)-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 3947636
4-(3,4-dimethoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine
CID 121494736
4-[(3,4-dimethoxyphenyl)methyl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 23605256
4-methoxy-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19571476
10-methyl-5-(naphthalen-2-yloxymethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 945764
5-(3,4-dichlorophenyl)-10-(3,4-dimethylphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 3684772
10-(4-methylphenyl)-5-pyridin-4-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 663578
5-methyl-2-[1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazol-4-yl]benzenethiol
CID 175155518

Frequently Asked Questions

What is the IUPAC name of 10-methyl-5-(3,4,5-trimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-methyl-5-(3,4,5-trimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 942892) is 10-methyl-5-(3,4,5-trimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-methyl-5-(3,4,5-trimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-methyl-5-(3,4,5-trimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is COc1cc(-c2nnc3c4cnn(C)c4ncn23)cc(OC)c1OC.
What is the InChIKey of 10-methyl-5-(3,4,5-trimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is PXQIUQNPEKPIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-21-15-10(7-18-21)16-20-19-14(22(16)8-17-15)9-5-11(23-2)13(25-4)12(6-9)24-3/h5-8H,1-4H3.
What are the key properties of 10-methyl-5-(3,4,5-trimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-methyl-5-(3,4,5-trimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 340.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-5-(3,4,5-trimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 942892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).