4-methyl-1,6-diazatricyclo[6.4.0.02,6]dodeca-2,4,7,9,11-pentaene

C11H10N2 — CID 155116048

IUPAC4-methyl-1,6-diazatricyclo[6.4.0.02,6]dodeca-2,4,7,9,11-pentaene
SMILESCc1cc2n(c1)cc1ccccn12
InChIInChI=1S/C11H10N2/c1-9-6-11-12(7-9)8-10-4-2-3-5-13(10)11/h2-8H,1H3
InChIKeyZJBNMRAVZPNXHK-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.50
Rot. Bonds

About 4-methyl-1,6-diazatricyclo[6.4.0.02,6]dodeca-2,4,7,9,11-pentaene

4-methyl-1,6-diazatricyclo[6.4.0.02,6]dodeca-2,4,7,9,11-pentaene (PubChem CID 155116048) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-methyl-1,6-diazatricyclo[6.4.0.02,6]dodeca-2,4,7,9,11-pentaene.

Molecular Properties

Compound Name4-methyl-1,6-diazatricyclo[6.4.0.02,6]dodeca-2,4,7,9,11-pentaene
PubChem CID155116048
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name4-methyl-1,6-diazatricyclo[6.4.0.02,6]dodeca-2,4,7,9,11-pentaene
SMILESCc1cc2n(c1)cc1ccccn12
InChIInChI=1S/C11H10N2/c1-9-6-11-12(7-9)8-10-4-2-3-5-13(10)11/h2-8H,1H3
InChIKeyZJBNMRAVZPNXHK-UHFFFAOYSA-N
XLogP2.50
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,6-diazatricyclo[6.4.0.02,6]dodeca-2,4,7,9,11-pentaene?
The IUPAC name of 4-methyl-1,6-diazatricyclo[6.4.0.02,6]dodeca-2,4,7,9,11-pentaene (CID 155116048) is 4-methyl-1,6-diazatricyclo[6.4.0.02,6]dodeca-2,4,7,9,11-pentaene.
What is the SMILES notation for 4-methyl-1,6-diazatricyclo[6.4.0.02,6]dodeca-2,4,7,9,11-pentaene?
The canonical SMILES for 4-methyl-1,6-diazatricyclo[6.4.0.02,6]dodeca-2,4,7,9,11-pentaene is Cc1cc2n(c1)cc1ccccn12.
What is the InChIKey of 4-methyl-1,6-diazatricyclo[6.4.0.02,6]dodeca-2,4,7,9,11-pentaene?
The InChIKey is ZJBNMRAVZPNXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-9-6-11-12(7-9)8-10-4-2-3-5-13(10)11/h2-8H,1H3.
What are the key properties of 4-methyl-1,6-diazatricyclo[6.4.0.02,6]dodeca-2,4,7,9,11-pentaene?
4-methyl-1,6-diazatricyclo[6.4.0.02,6]dodeca-2,4,7,9,11-pentaene has a molecular weight of 170.21 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,6-diazatricyclo[6.4.0.02,6]dodeca-2,4,7,9,11-pentaene is sourced from PubChem (CID 155116048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).