3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine

C22H22N4 — CID 146453462

IUPAC3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine
SMILESc1cc2c(c(-c3nnc(-c4cccc5c4CCCC5)nn3)c1)CCCC2
InChIInChI=1S/C22H22N4/c1-3-11-17-15(7-1)9-5-13-19(17)21-23-25-22(26-24-21)20-14-6-10-16-8-2-4-12-18(16)20/h5-6,9-10,13-14H,1-4,7-8,11-12H2
InChIKeyPPONUVKFZZAOSV-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.36
Rot. Bonds2

About 3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine

3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine (PubChem CID 146453462) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine
PubChem CID146453462
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine
SMILESc1cc2c(c(-c3nnc(-c4cccc5c4CCCC5)nn3)c1)CCCC2
InChIInChI=1S/C22H22N4/c1-3-11-17-15(7-1)9-5-13-19(17)21-23-25-22(26-24-21)20-14-6-10-16-8-2-4-12-18(16)20/h5-6,9-10,13-14H,1-4,7-8,11-12H2
InChIKeyPPONUVKFZZAOSV-UHFFFAOYSA-N
XLogP4.36
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine?
The IUPAC name of 3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine (CID 146453462) is 3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine is c1cc2c(c(-c3nnc(-c4cccc5c4CCCC5)nn3)c1)CCCC2.
What is the InChIKey of 3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine?
The InChIKey is PPONUVKFZZAOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-3-11-17-15(7-1)9-5-13-19(17)21-23-25-22(26-24-21)20-14-6-10-16-8-2-4-12-18(16)20/h5-6,9-10,13-14H,1-4,7-8,11-12H2.
What are the key properties of 3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine?
3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine has a molecular weight of 342.45 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine is sourced from PubChem (CID 146453462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).