11-methoxy-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene

C10H11N3O — CID 25157666

IUPAC11-methoxy-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene
SMILESCOc1ccc2nc3n(c2n1)CCC3
InChIInChI=1S/C10H11N3O/c1-14-9-5-4-7-10(12-9)13-6-2-3-8(13)11-7/h4-5H,2-3,6H2,1H3
InChIKeyPZZSRELIEPQEKK-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.39
Rot. Bonds1

About 11-methoxy-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene

11-methoxy-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene (PubChem CID 25157666) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 11-methoxy-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene.

Molecular Properties

Compound Name11-methoxy-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene
PubChem CID25157666
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name11-methoxy-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene
SMILESCOc1ccc2nc3n(c2n1)CCC3
InChIInChI=1S/C10H11N3O/c1-14-9-5-4-7-10(12-9)13-6-2-3-8(13)11-7/h4-5H,2-3,6H2,1H3
InChIKeyPZZSRELIEPQEKK-UHFFFAOYSA-N
XLogP1.39
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-methoxy-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene?
The IUPAC name of 11-methoxy-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene (CID 25157666) is 11-methoxy-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene.
What is the SMILES notation for 11-methoxy-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene?
The canonical SMILES for 11-methoxy-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene is COc1ccc2nc3n(c2n1)CCC3.
What is the InChIKey of 11-methoxy-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene?
The InChIKey is PZZSRELIEPQEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-14-9-5-4-7-10(12-9)13-6-2-3-8(13)11-7/h4-5H,2-3,6H2,1H3.
What are the key properties of 11-methoxy-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene?
11-methoxy-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene has a molecular weight of 189.22 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methoxy-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene is sourced from PubChem (CID 25157666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).