2,3,4,5-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene

C12H12N4 — CID 167452139

IUPAC2,3,4,5-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene
SMILESC1=CC2=C(CC3=C2CCC3)n2nnnc2C1
InChIInChI=1S/C12H12N4/c1-3-8-7-11-10(9(8)4-1)5-2-6-12-13-14-15-16(11)12/h2,5H,1,3-4,6-7H2
InChIKeyVCZFPGGBCXQMJO-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.88
Rot. Bonds

About 2,3,4,5-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene

2,3,4,5-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene (PubChem CID 167452139) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2,3,4,5-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene.

Molecular Properties

Compound Name2,3,4,5-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene
PubChem CID167452139
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2,3,4,5-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene
SMILESC1=CC2=C(CC3=C2CCC3)n2nnnc2C1
InChIInChI=1S/C12H12N4/c1-3-8-7-11-10(9(8)4-1)5-2-6-12-13-14-15-16(11)12/h2,5H,1,3-4,6-7H2
InChIKeyVCZFPGGBCXQMJO-UHFFFAOYSA-N
XLogP1.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene?
The IUPAC name of 2,3,4,5-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene (CID 167452139) is 2,3,4,5-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene.
What is the SMILES notation for 2,3,4,5-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene?
The canonical SMILES for 2,3,4,5-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene is C1=CC2=C(CC3=C2CCC3)n2nnnc2C1.
What is the InChIKey of 2,3,4,5-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene?
The InChIKey is VCZFPGGBCXQMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-3-8-7-11-10(9(8)4-1)5-2-6-12-13-14-15-16(11)12/h2,5H,1,3-4,6-7H2.
What are the key properties of 2,3,4,5-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene?
2,3,4,5-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene has a molecular weight of 212.26 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene is sourced from PubChem (CID 167452139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).