7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

C11H13N3 — CID 1477871

IUPAC7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1cc2nc(C)c3c(n2n1)CCC3
InChIInChI=1S/C11H13N3/c1-7-6-11-12-8(2)9-4-3-5-10(9)14(11)13-7/h6H,3-5H2,1-2H3
InChIKeyNFMVIPRXVFLZGP-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.83
Rot. Bonds

About 7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 1477871) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID1477871
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1cc2nc(C)c3c(n2n1)CCC3
InChIInChI=1S/C11H13N3/c1-7-6-11-12-8(2)9-4-3-5-10(9)14(11)13-7/h6H,3-5H2,1-2H3
InChIKeyNFMVIPRXVFLZGP-UHFFFAOYSA-N
XLogP1.83
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 1477871) is 7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is Cc1cc2nc(C)c3c(n2n1)CCC3.
What is the InChIKey of 7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is NFMVIPRXVFLZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-7-6-11-12-8(2)9-4-3-5-10(9)14(11)13-7/h6H,3-5H2,1-2H3.
What are the key properties of 7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 187.25 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 1477871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).