2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,11,16-hexaene

C14H14N4 — CID 91314199

IUPAC2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,11,16-hexaene
SMILESC1=CCC2C(=C1)n1cncc1CC1=CNC=NC12
InChIInChI=1S/C14H14N4/c1-2-4-13-12(3-1)14-10(6-15-8-17-14)5-11-7-16-9-18(11)13/h1-2,4,6-9,12,14H,3,5H2,(H,15,17)
InChIKeyVEIFFHQNFCPLJI-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.74
Rot. Bonds

About 2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,11,16-hexaene

2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,11,16-hexaene (PubChem CID 91314199) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,11,16-hexaene.

Molecular Properties

Compound Name2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,11,16-hexaene
PubChem CID91314199
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,11,16-hexaene
SMILESC1=CCC2C(=C1)n1cncc1CC1=CNC=NC12
InChIInChI=1S/C14H14N4/c1-2-4-13-12(3-1)14-10(6-15-8-17-14)5-11-7-16-9-18(11)13/h1-2,4,6-9,12,14H,3,5H2,(H,15,17)
InChIKeyVEIFFHQNFCPLJI-UHFFFAOYSA-N
XLogP1.74
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,11,16-hexaene?
The IUPAC name of 2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,11,16-hexaene (CID 91314199) is 2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,11,16-hexaene.
What is the SMILES notation for 2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,11,16-hexaene?
The canonical SMILES for 2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,11,16-hexaene is C1=CCC2C(=C1)n1cncc1CC1=CNC=NC12.
What is the InChIKey of 2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,11,16-hexaene?
The InChIKey is VEIFFHQNFCPLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-4-13-12(3-1)14-10(6-15-8-17-14)5-11-7-16-9-18(11)13/h1-2,4,6-9,12,14H,3,5H2,(H,15,17).
What are the key properties of 2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,11,16-hexaene?
2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,11,16-hexaene has a molecular weight of 238.29 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,11,16-hexaene is sourced from PubChem (CID 91314199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).