ethane;3-phenyl-1,2,4,5-tetrazine

C10H12N4 — CID 177031357

IUPACethane;3-phenyl-1,2,4,5-tetrazine
SMILESCC.c1ccc(-c2nncnn2)cc1
InChIInChI=1S/C8H6N4.C2H6/c1-2-4-7(5-3-1)8-11-9-6-10-12-8;1-2/h1-6H;1-2H3
InChIKeyJIOVAEVFSCMFLQ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.96
Rot. Bonds1

About ethane;3-phenyl-1,2,4,5-tetrazine

ethane;3-phenyl-1,2,4,5-tetrazine (PubChem CID 177031357) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is ethane;3-phenyl-1,2,4,5-tetrazine.

Molecular Properties

Compound Nameethane;3-phenyl-1,2,4,5-tetrazine
PubChem CID177031357
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Nameethane;3-phenyl-1,2,4,5-tetrazine
SMILESCC.c1ccc(-c2nncnn2)cc1
InChIInChI=1S/C8H6N4.C2H6/c1-2-4-7(5-3-1)8-11-9-6-10-12-8;1-2/h1-6H;1-2H3
InChIKeyJIOVAEVFSCMFLQ-UHFFFAOYSA-N
XLogP1.96
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-phenyl-1,2,4,5-tetrazine?
The IUPAC name of ethane;3-phenyl-1,2,4,5-tetrazine (CID 177031357) is ethane;3-phenyl-1,2,4,5-tetrazine.
What is the SMILES notation for ethane;3-phenyl-1,2,4,5-tetrazine?
The canonical SMILES for ethane;3-phenyl-1,2,4,5-tetrazine is CC.c1ccc(-c2nncnn2)cc1.
What is the InChIKey of ethane;3-phenyl-1,2,4,5-tetrazine?
The InChIKey is JIOVAEVFSCMFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4.C2H6/c1-2-4-7(5-3-1)8-11-9-6-10-12-8;1-2/h1-6H;1-2H3.
What are the key properties of ethane;3-phenyl-1,2,4,5-tetrazine?
ethane;3-phenyl-1,2,4,5-tetrazine has a molecular weight of 188.23 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-phenyl-1,2,4,5-tetrazine is sourced from PubChem (CID 177031357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).