1,2,4,5-tetrazine;triazine;1,2,4-triazine

C8H8N10 — CID 158170116

IUPAC1,2,4,5-tetrazine;triazine;1,2,4-triazine
SMILESc1cnncn1.c1cnnnc1.c1nncnn1
InChIInChI=1S/2C3H3N3.C2H2N4/c1-2-5-6-3-4-1;1-2-4-6-5-3-1;1-3-5-2-6-4-1/h2*1-3H;1-2H
InChIKeyFXIRCBFMJCDARH-UHFFFAOYSA-N
MW244.22 g/mol
LogP-0.99
Rot. Bonds

About 1,2,4,5-tetrazine;triazine;1,2,4-triazine

1,2,4,5-tetrazine;triazine;1,2,4-triazine (PubChem CID 158170116) has the molecular formula C8H8N10 and a molecular weight of 244.22 g/mol. Its IUPAC name is 1,2,4,5-tetrazine;triazine;1,2,4-triazine.

Molecular Properties

Compound Name1,2,4,5-tetrazine;triazine;1,2,4-triazine
PubChem CID158170116
Molecular FormulaC8H8N10
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name1,2,4,5-tetrazine;triazine;1,2,4-triazine
SMILESc1cnncn1.c1cnnnc1.c1nncnn1
InChIInChI=1S/2C3H3N3.C2H2N4/c1-2-5-6-3-4-1;1-2-4-6-5-3-1;1-3-5-2-6-4-1/h2*1-3H;1-2H
InChIKeyFXIRCBFMJCDARH-UHFFFAOYSA-N
XLogP-0.99
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

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benzene;pyrazine;pyridazine;pyrimidine
CID 165080734
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CID 158797146
zinc;carbanide;bis(triazine)
CID 158089186
pyridine;bis(triazine)
CID 67425027
ethene;prop-1-ene;1,2,4-triazine;1,3,5-triazine
CID 178111563
benzene;ethane;methane;naphthalene;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine
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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrazine;triazine;1,2,4-triazine?
The IUPAC name of 1,2,4,5-tetrazine;triazine;1,2,4-triazine (CID 158170116) is 1,2,4,5-tetrazine;triazine;1,2,4-triazine.
What is the SMILES notation for 1,2,4,5-tetrazine;triazine;1,2,4-triazine?
The canonical SMILES for 1,2,4,5-tetrazine;triazine;1,2,4-triazine is c1cnncn1.c1cnnnc1.c1nncnn1.
What is the InChIKey of 1,2,4,5-tetrazine;triazine;1,2,4-triazine?
The InChIKey is FXIRCBFMJCDARH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3N3.C2H2N4/c1-2-5-6-3-4-1;1-2-4-6-5-3-1;1-3-5-2-6-4-1/h2*1-3H;1-2H.
What are the key properties of 1,2,4,5-tetrazine;triazine;1,2,4-triazine?
1,2,4,5-tetrazine;triazine;1,2,4-triazine has a molecular weight of 244.22 g/mol, XLogP of -0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrazine;triazine;1,2,4-triazine is sourced from PubChem (CID 158170116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).