3,6-di(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine

C10H8N8 — CID 12987611

IUPAC3,6-di(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine
SMILESc1cnc(C2=NNC(c3ncccn3)=NN2)nc1
InChIInChI=1S/C10H8N8/c1-3-11-7(12-4-1)9-15-17-10(18-16-9)8-13-5-2-6-14-8/h1-6H,(H,15,16)(H,17,18)
InChIKeyBUZFTCJPZKGMDK-UHFFFAOYSA-N
MW240.23 g/mol
LogP-0.52
Rot. Bonds2

About 3,6-di(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine

3,6-di(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine (PubChem CID 12987611) has the molecular formula C10H8N8 and a molecular weight of 240.23 g/mol. Its IUPAC name is 3,6-di(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-di(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine
PubChem CID12987611
Molecular FormulaC10H8N8
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name3,6-di(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine
SMILESc1cnc(C2=NNC(c3ncccn3)=NN2)nc1
InChIInChI=1S/C10H8N8/c1-3-11-7(12-4-1)9-15-17-10(18-16-9)8-13-5-2-6-14-8/h1-6H,(H,15,16)(H,17,18)
InChIKeyBUZFTCJPZKGMDK-UHFFFAOYSA-N
XLogP-0.52
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine?
The IUPAC name of 3,6-di(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine (CID 12987611) is 3,6-di(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-di(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-di(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine is c1cnc(C2=NNC(c3ncccn3)=NN2)nc1.
What is the InChIKey of 3,6-di(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine?
The InChIKey is BUZFTCJPZKGMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N8/c1-3-11-7(12-4-1)9-15-17-10(18-16-9)8-13-5-2-6-14-8/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 3,6-di(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine?
3,6-di(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine has a molecular weight of 240.23 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine is sourced from PubChem (CID 12987611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).