6-methyl-2-(2-methylphenyl)-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

C18H15N5 — CID 59572319

IUPAC6-methyl-2-(2-methylphenyl)-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCc1cnc2c(c1)N=Nc1cccnc1N2c1ccccc1C
InChIInChI=1S/C18H15N5/c1-12-10-15-18(20-11-12)23(16-8-4-3-6-13(16)2)17-14(21-22-15)7-5-9-19-17/h3-11H,1-2H3
InChIKeyFDGARUBSHXHVDF-UHFFFAOYSA-N
MW301.35 g/mol
LogP5.29
Rot. Bonds1

About 6-methyl-2-(2-methylphenyl)-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

6-methyl-2-(2-methylphenyl)-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (PubChem CID 59572319) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-methyl-2-(2-methylphenyl)-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.

Molecular Properties

Compound Name6-methyl-2-(2-methylphenyl)-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
PubChem CID59572319
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name6-methyl-2-(2-methylphenyl)-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCc1cnc2c(c1)N=Nc1cccnc1N2c1ccccc1C
InChIInChI=1S/C18H15N5/c1-12-10-15-18(20-11-12)23(16-8-4-3-6-13(16)2)17-14(21-22-15)7-5-9-19-17/h3-11H,1-2H3
InChIKeyFDGARUBSHXHVDF-UHFFFAOYSA-N
XLogP5.29
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.35
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-(2-methylphenyl)-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylphenyl)-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The IUPAC name of 6-methyl-2-(2-methylphenyl)-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (CID 59572319) is 6-methyl-2-(2-methylphenyl)-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.
What is the SMILES notation for 6-methyl-2-(2-methylphenyl)-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The canonical SMILES for 6-methyl-2-(2-methylphenyl)-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is Cc1cnc2c(c1)N=Nc1cccnc1N2c1ccccc1C.
What is the InChIKey of 6-methyl-2-(2-methylphenyl)-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The InChIKey is FDGARUBSHXHVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-12-10-15-18(20-11-12)23(16-8-4-3-6-13(16)2)17-14(21-22-15)7-5-9-19-17/h3-11H,1-2H3.
What are the key properties of 6-methyl-2-(2-methylphenyl)-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
6-methyl-2-(2-methylphenyl)-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene has a molecular weight of 301.35 g/mol, XLogP of 5.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylphenyl)-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is sourced from PubChem (CID 59572319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).