5,7,12,14-tetrahydroanthra[2,3-g][1,2,3,4]benzotetrazine

C18H14N4 — CID 67979314

IUPAC5,7,12,14-tetrahydroanthra[2,3-g][1,2,3,4]benzotetrazine
SMILESc1ccc2c(c1)Cc1cc3c(cc1C2)Cc1nnnnc1C3
InChIInChI=1S/C18H14N4/c1-2-4-12-6-14-8-16-10-18-17(19-21-22-20-18)9-15(16)7-13(14)5-11(12)3-1/h1-4,7-8H,5-6,9-10H2
InChIKeyGPKPCQSLOKHXRJ-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.26
Rot. Bonds

About 5,7,12,14-tetrahydroanthra[2,3-g][1,2,3,4]benzotetrazine

5,7,12,14-tetrahydroanthra[2,3-g][1,2,3,4]benzotetrazine (PubChem CID 67979314) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 5,7,12,14-tetrahydroanthra[2,3-g][1,2,3,4]benzotetrazine.

Molecular Properties

Compound Name5,7,12,14-tetrahydroanthra[2,3-g][1,2,3,4]benzotetrazine
PubChem CID67979314
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name5,7,12,14-tetrahydroanthra[2,3-g][1,2,3,4]benzotetrazine
SMILESc1ccc2c(c1)Cc1cc3c(cc1C2)Cc1nnnnc1C3
InChIInChI=1S/C18H14N4/c1-2-4-12-6-14-8-16-10-18-17(19-21-22-20-18)9-15(16)7-13(14)5-11(12)3-1/h1-4,7-8H,5-6,9-10H2
InChIKeyGPKPCQSLOKHXRJ-UHFFFAOYSA-N
XLogP2.26
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7,12,14-tetrahydroanthra[2,3-g][1,2,3,4]benzotetrazine?
The IUPAC name of 5,7,12,14-tetrahydroanthra[2,3-g][1,2,3,4]benzotetrazine (CID 67979314) is 5,7,12,14-tetrahydroanthra[2,3-g][1,2,3,4]benzotetrazine.
What is the SMILES notation for 5,7,12,14-tetrahydroanthra[2,3-g][1,2,3,4]benzotetrazine?
The canonical SMILES for 5,7,12,14-tetrahydroanthra[2,3-g][1,2,3,4]benzotetrazine is c1ccc2c(c1)Cc1cc3c(cc1C2)Cc1nnnnc1C3.
What is the InChIKey of 5,7,12,14-tetrahydroanthra[2,3-g][1,2,3,4]benzotetrazine?
The InChIKey is GPKPCQSLOKHXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-2-4-12-6-14-8-16-10-18-17(19-21-22-20-18)9-15(16)7-13(14)5-11(12)3-1/h1-4,7-8H,5-6,9-10H2.
What are the key properties of 5,7,12,14-tetrahydroanthra[2,3-g][1,2,3,4]benzotetrazine?
5,7,12,14-tetrahydroanthra[2,3-g][1,2,3,4]benzotetrazine has a molecular weight of 286.34 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,12,14-tetrahydroanthra[2,3-g][1,2,3,4]benzotetrazine is sourced from PubChem (CID 67979314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).