8-methyl-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,8,10-hexaene

C12H10N2 — CID 162284750

IUPAC8-methyl-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,8,10-hexaene
SMILESCc1c2cc[nH]cc-2c2cnccc12
InChIInChI=1S/C12H10N2/c1-8-9-2-4-13-6-11(9)12-7-14-5-3-10(8)12/h2-7,13H,1H3
InChIKeyASGMEUJNIPBEAS-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.98
Rot. Bonds

About 8-methyl-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,8,10-hexaene

8-methyl-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,8,10-hexaene (PubChem CID 162284750) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 8-methyl-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,8,10-hexaene.

Molecular Properties

Compound Name8-methyl-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,8,10-hexaene
PubChem CID162284750
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name8-methyl-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,8,10-hexaene
SMILESCc1c2cc[nH]cc-2c2cnccc12
InChIInChI=1S/C12H10N2/c1-8-9-2-4-13-6-11(9)12-7-14-5-3-10(8)12/h2-7,13H,1H3
InChIKeyASGMEUJNIPBEAS-UHFFFAOYSA-N
XLogP2.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,8,10-hexaene?
The IUPAC name of 8-methyl-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,8,10-hexaene (CID 162284750) is 8-methyl-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,8,10-hexaene.
What is the SMILES notation for 8-methyl-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,8,10-hexaene?
The canonical SMILES for 8-methyl-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,8,10-hexaene is Cc1c2cc[nH]cc-2c2cnccc12.
What is the InChIKey of 8-methyl-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,8,10-hexaene?
The InChIKey is ASGMEUJNIPBEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-8-9-2-4-13-6-11(9)12-7-14-5-3-10(8)12/h2-7,13H,1H3.
What are the key properties of 8-methyl-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,8,10-hexaene?
8-methyl-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,8,10-hexaene has a molecular weight of 182.23 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,8,10-hexaene is sourced from PubChem (CID 162284750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).