1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,8,10-tetraene

C8H8N4 — CID 73011228

IUPAC1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,8,10-tetraene
SMILESC1=NC2=CN3CC=NC3=CN2C1
InChIInChI=1S/C8H8N4/c1-3-11-6-8-10-2-4-12(8)5-7(11)9-1/h1-2,5-6H,3-4H2
InChIKeyKCZXSWOWBHATGQ-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.37
Rot. Bonds

About 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,8,10-tetraene

1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,8,10-tetraene (PubChem CID 73011228) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,8,10-tetraene.

Molecular Properties

Compound Name1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,8,10-tetraene
PubChem CID73011228
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,8,10-tetraene
SMILESC1=NC2=CN3CC=NC3=CN2C1
InChIInChI=1S/C8H8N4/c1-3-11-6-8-10-2-4-12(8)5-7(11)9-1/h1-2,5-6H,3-4H2
InChIKeyKCZXSWOWBHATGQ-UHFFFAOYSA-N
XLogP0.37
TPSA31.20 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 ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,8,10-tetraene?
The IUPAC name of 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,8,10-tetraene (CID 73011228) is 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,8,10-tetraene.
What is the SMILES notation for 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,8,10-tetraene?
The canonical SMILES for 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,8,10-tetraene is C1=NC2=CN3CC=NC3=CN2C1.
What is the InChIKey of 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,8,10-tetraene?
The InChIKey is KCZXSWOWBHATGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-3-11-6-8-10-2-4-12(8)5-7(11)9-1/h1-2,5-6H,3-4H2.
What are the key properties of 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,8,10-tetraene?
1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,8,10-tetraene has a molecular weight of 160.18 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,8,10-tetraene is sourced from PubChem (CID 73011228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).