2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene

C10H12N4 — CID 67456845

IUPAC2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
SMILESc1cc2nc3c(cn2n1)CCNCC3
InChIInChI=1S/C10H12N4/c1-4-11-5-2-9-8(1)7-14-10(13-9)3-6-12-14/h3,6-7,11H,1-2,4-5H2
InChIKeyCRORRVYSBWCZLY-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.42
Rot. Bonds

About 2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene

2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene (PubChem CID 67456845) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene.

Molecular Properties

Compound Name2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
PubChem CID67456845
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
SMILESc1cc2nc3c(cn2n1)CCNCC3
InChIInChI=1S/C10H12N4/c1-4-11-5-2-9-8(1)7-14-10(13-9)3-6-12-14/h3,6-7,11H,1-2,4-5H2
InChIKeyCRORRVYSBWCZLY-UHFFFAOYSA-N
XLogP0.42
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
The IUPAC name of 2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene (CID 67456845) is 2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene.
What is the SMILES notation for 2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
The canonical SMILES for 2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene is c1cc2nc3c(cn2n1)CCNCC3.
What is the InChIKey of 2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
The InChIKey is CRORRVYSBWCZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-4-11-5-2-9-8(1)7-14-10(13-9)3-6-12-14/h3,6-7,11H,1-2,4-5H2.
What are the key properties of 2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene has a molecular weight of 188.23 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene is sourced from PubChem (CID 67456845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).