1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

C8H8N4 — CID 22224504

IUPAC1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESc1nc2ncc3c(n2n1)CCC3
InChIInChI=1S/C8H8N4/c1-2-6-4-9-8-10-5-11-12(8)7(6)3-1/h4-5H,1-3H2
InChIKeyLTQVYKXOLVPCIN-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.61
Rot. Bonds

About 1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 22224504) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID22224504
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESc1nc2ncc3c(n2n1)CCC3
InChIInChI=1S/C8H8N4/c1-2-6-4-9-8-10-5-11-12(8)7(6)3-1/h4-5H,1-3H2
InChIKeyLTQVYKXOLVPCIN-UHFFFAOYSA-N
XLogP0.61
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 22224504) is 1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is c1nc2ncc3c(n2n1)CCC3.
What is the InChIKey of 1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is LTQVYKXOLVPCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-2-6-4-9-8-10-5-11-12(8)7(6)3-1/h4-5H,1-3H2.
What are the key properties of 1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 160.18 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 22224504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).