7,10-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene

C11H10N4 — CID 90955504

IUPAC7,10-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
SMILESCc1ccnc2c1nc(C)c1cncn12
InChIInChI=1S/C11H10N4/c1-7-3-4-13-11-10(7)14-8(2)9-5-12-6-15(9)11/h3-6H,1-2H3
InChIKeyFVHKWWOVDCWXRM-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.89
Rot. Bonds

About 7,10-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene

7,10-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene (PubChem CID 90955504) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 7,10-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene.

Molecular Properties

Compound Name7,10-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
PubChem CID90955504
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name7,10-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
SMILESCc1ccnc2c1nc(C)c1cncn12
InChIInChI=1S/C11H10N4/c1-7-3-4-13-11-10(7)14-8(2)9-5-12-6-15(9)11/h3-6H,1-2H3
InChIKeyFVHKWWOVDCWXRM-UHFFFAOYSA-N
XLogP1.89
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7,10-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene?
The IUPAC name of 7,10-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene (CID 90955504) is 7,10-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene.
What is the SMILES notation for 7,10-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene?
The canonical SMILES for 7,10-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene is Cc1ccnc2c1nc(C)c1cncn12.
What is the InChIKey of 7,10-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene?
The InChIKey is FVHKWWOVDCWXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-7-3-4-13-11-10(7)14-8(2)9-5-12-6-15(9)11/h3-6H,1-2H3.
What are the key properties of 7,10-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene?
7,10-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene has a molecular weight of 198.23 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene is sourced from PubChem (CID 90955504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).