1,4,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene

C8H10N4 — CID 129261832

IUPAC1,4,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene
SMILESc1[nH]cc2c1nc1n2CCNC1
InChIInChI=1S/C8H10N4/c1-2-12-7-4-10-3-6(7)11-8(12)5-9-1/h3-4,9-10H,1-2,5H2
InChIKeyFDTUXQKTHPXYHM-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.47
Rot. Bonds

About 1,4,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene

1,4,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene (PubChem CID 129261832) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 1,4,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene.

Molecular Properties

Compound Name1,4,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene
PubChem CID129261832
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name1,4,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene
SMILESc1[nH]cc2c1nc1n2CCNC1
InChIInChI=1S/C8H10N4/c1-2-12-7-4-10-3-6(7)11-8(12)5-9-1/h3-4,9-10H,1-2,5H2
InChIKeyFDTUXQKTHPXYHM-UHFFFAOYSA-N
XLogP0.47
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene?
The IUPAC name of 1,4,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene (CID 129261832) is 1,4,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene.
What is the SMILES notation for 1,4,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene?
The canonical SMILES for 1,4,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene is c1[nH]cc2c1nc1n2CCNC1.
What is the InChIKey of 1,4,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene?
The InChIKey is FDTUXQKTHPXYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-2-12-7-4-10-3-6(7)11-8(12)5-9-1/h3-4,9-10H,1-2,5H2.
What are the key properties of 1,4,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene?
1,4,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene has a molecular weight of 162.20 g/mol, XLogP of 0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene is sourced from PubChem (CID 129261832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).