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

C15H14N6 — CID 664733

IUPAC10-(3,4-dimethylphenyl)-4-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1nc2c3cnn(-c4ccc(C)c(C)c4)c3ncn2n1
InChIInChI=1S/C15H14N6/c1-9-4-5-12(6-10(9)2)21-14-13(7-17-21)15-18-11(3)19-20(15)8-16-14/h4-8H,1-3H3
InChIKeyLTGWEDSUORANEX-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.39
Rot. Bonds1

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

10-(3,4-dimethylphenyl)-4-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 664733) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is 10-(3,4-dimethylphenyl)-4-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-(3,4-dimethylphenyl)-4-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID664733
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name10-(3,4-dimethylphenyl)-4-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1nc2c3cnn(-c4ccc(C)c(C)c4)c3ncn2n1
InChIInChI=1S/C15H14N6/c1-9-4-5-12(6-10(9)2)21-14-13(7-17-21)15-18-11(3)19-20(15)8-16-14/h4-8H,1-3H3
InChIKeyLTGWEDSUORANEX-UHFFFAOYSA-N
XLogP2.39
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dimethylphenyl)-4-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-(3,4-dimethylphenyl)-4-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 664733) is 10-(3,4-dimethylphenyl)-4-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-(3,4-dimethylphenyl)-4-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-(3,4-dimethylphenyl)-4-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cc1nc2c3cnn(-c4ccc(C)c(C)c4)c3ncn2n1.
What is the InChIKey of 10-(3,4-dimethylphenyl)-4-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is LTGWEDSUORANEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c1-9-4-5-12(6-10(9)2)21-14-13(7-17-21)15-18-11(3)19-20(15)8-16-14/h4-8H,1-3H3.
What are the key properties of 10-(3,4-dimethylphenyl)-4-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-(3,4-dimethylphenyl)-4-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 278.32 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dimethylphenyl)-4-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 664733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).