5-methyl-5,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene

C11H10N2 — CID 58931549

IUPAC5-methyl-5,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene
SMILESCn1ccc2c1Cc1ncccc1-2
InChIInChI=1S/C11H10N2/c1-13-6-4-9-8-3-2-5-12-10(8)7-11(9)13/h2-6H,7H2,1H3
InChIKeyDFPCSTGRURYGCN-UHFFFAOYSA-N
MW170.22 g/mol
LogP1.99
Rot. Bonds

About 5-methyl-5,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene

5-methyl-5,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene (PubChem CID 58931549) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is 5-methyl-5,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene.

Molecular Properties

Compound Name5-methyl-5,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene
PubChem CID58931549
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name5-methyl-5,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene
SMILESCn1ccc2c1Cc1ncccc1-2
InChIInChI=1S/C11H10N2/c1-13-6-4-9-8-3-2-5-12-10(8)7-11(9)13/h2-6H,7H2,1H3
InChIKeyDFPCSTGRURYGCN-UHFFFAOYSA-N
XLogP1.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene?
The IUPAC name of 5-methyl-5,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene (CID 58931549) is 5-methyl-5,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene.
What is the SMILES notation for 5-methyl-5,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene?
The canonical SMILES for 5-methyl-5,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene is Cn1ccc2c1Cc1ncccc1-2.
What is the InChIKey of 5-methyl-5,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene?
The InChIKey is DFPCSTGRURYGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-13-6-4-9-8-3-2-5-12-10(8)7-11(9)13/h2-6H,7H2,1H3.
What are the key properties of 5-methyl-5,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene?
5-methyl-5,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene has a molecular weight of 170.22 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene is sourced from PubChem (CID 58931549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).