4,5-bis(ethenyl)triazine;ethane

C9H13N3 — CID 145045401

IUPAC4,5-bis(ethenyl)triazine;ethane
SMILESC=Cc1cnnnc1C=C.CC
InChIInChI=1S/C7H7N3.C2H6/c1-3-6-5-8-10-9-7(6)4-2;1-2/h3-5H,1-2H2;1-2H3
InChIKeyMEGIWFJWEFPOCV-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.18
Rot. Bonds2

About 4,5-bis(ethenyl)triazine;ethane

4,5-bis(ethenyl)triazine;ethane (PubChem CID 145045401) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4,5-bis(ethenyl)triazine;ethane.

Molecular Properties

Compound Name4,5-bis(ethenyl)triazine;ethane
PubChem CID145045401
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4,5-bis(ethenyl)triazine;ethane
SMILESC=Cc1cnnnc1C=C.CC
InChIInChI=1S/C7H7N3.C2H6/c1-3-6-5-8-10-9-7(6)4-2;1-2/h3-5H,1-2H2;1-2H3
InChIKeyMEGIWFJWEFPOCV-UHFFFAOYSA-N
XLogP2.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-bis(ethenyl)triazine
CID 66824939
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CID 171556695
3,4-bis(ethenyl)-1-methylpyrazole;ethane
CID 142981552
6-ethenyltriazine-4,5-diamine
CID 68717426
2,3-bis(ethenyl)-5-methylpyrazine;ethane
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CID 178008358
4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen
CID 142810838
ethane;1-(3-ethenyl-5-methyl-4-pyridinyl)ethenol
CID 167523166
5,6-bis(ethenyl)pyridine-3-carbonyl fluoride
CID 143985107
1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane
CID 143099406
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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)triazine;ethane?
The IUPAC name of 4,5-bis(ethenyl)triazine;ethane (CID 145045401) is 4,5-bis(ethenyl)triazine;ethane.
What is the SMILES notation for 4,5-bis(ethenyl)triazine;ethane?
The canonical SMILES for 4,5-bis(ethenyl)triazine;ethane is C=Cc1cnnnc1C=C.CC.
What is the InChIKey of 4,5-bis(ethenyl)triazine;ethane?
The InChIKey is MEGIWFJWEFPOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.C2H6/c1-3-6-5-8-10-9-7(6)4-2;1-2/h3-5H,1-2H2;1-2H3.
What are the key properties of 4,5-bis(ethenyl)triazine;ethane?
4,5-bis(ethenyl)triazine;ethane has a molecular weight of 163.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)triazine;ethane is sourced from PubChem (CID 145045401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).