1,5-bis(ethenyl)triazole;ethane

C10H19N3 — CID 145064562

IUPAC1,5-bis(ethenyl)triazole;ethane
SMILESC=Cc1cnnn1C=C.CC.CC
InChIInChI=1S/C6H7N3.2C2H6/c1-3-6-5-7-8-9(6)4-2;2*1-2/h3-5H,1-2H2;2*1-2H3
InChIKeyLSWAEBMRVSATLO-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.07
Rot. Bonds2

About 1,5-bis(ethenyl)triazole;ethane

1,5-bis(ethenyl)triazole;ethane (PubChem CID 145064562) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1,5-bis(ethenyl)triazole;ethane.

Molecular Properties

Compound Name1,5-bis(ethenyl)triazole;ethane
PubChem CID145064562
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1,5-bis(ethenyl)triazole;ethane
SMILESC=Cc1cnnn1C=C.CC.CC
InChIInChI=1S/C6H7N3.2C2H6/c1-3-6-5-7-8-9(6)4-2;2*1-2/h3-5H,1-2H2;2*1-2H3
InChIKeyLSWAEBMRVSATLO-UHFFFAOYSA-N
XLogP3.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(ethenyl)triazole;ethane?
The IUPAC name of 1,5-bis(ethenyl)triazole;ethane (CID 145064562) is 1,5-bis(ethenyl)triazole;ethane.
What is the SMILES notation for 1,5-bis(ethenyl)triazole;ethane?
The canonical SMILES for 1,5-bis(ethenyl)triazole;ethane is C=Cc1cnnn1C=C.CC.CC.
What is the InChIKey of 1,5-bis(ethenyl)triazole;ethane?
The InChIKey is LSWAEBMRVSATLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3.2C2H6/c1-3-6-5-7-8-9(6)4-2;2*1-2/h3-5H,1-2H2;2*1-2H3.
What are the key properties of 1,5-bis(ethenyl)triazole;ethane?
1,5-bis(ethenyl)triazole;ethane has a molecular weight of 181.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(ethenyl)triazole;ethane is sourced from PubChem (CID 145064562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).