3,4-bis(ethenyl)-1,2,4-triazole;ethane;ethene

C10H17N3 — CID 143195747

IUPAC3,4-bis(ethenyl)-1,2,4-triazole;ethane;ethene
SMILESC=C.C=Cc1nncn1C=C.CC
InChIInChI=1S/C6H7N3.C2H6.C2H4/c1-3-6-8-7-5-9(6)4-2;2*1-2/h3-5H,1-2H2;1-2H3;1-2H2
InChIKeyVOOMDTMYLTYOJP-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.85
Rot. Bonds2

About 3,4-bis(ethenyl)-1,2,4-triazole;ethane;ethene

3,4-bis(ethenyl)-1,2,4-triazole;ethane;ethene (PubChem CID 143195747) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-1,2,4-triazole;ethane;ethene.

Molecular Properties

Compound Name3,4-bis(ethenyl)-1,2,4-triazole;ethane;ethene
PubChem CID143195747
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3,4-bis(ethenyl)-1,2,4-triazole;ethane;ethene
SMILESC=C.C=Cc1nncn1C=C.CC
InChIInChI=1S/C6H7N3.C2H6.C2H4/c1-3-6-8-7-5-9(6)4-2;2*1-2/h3-5H,1-2H2;1-2H3;1-2H2
InChIKeyVOOMDTMYLTYOJP-UHFFFAOYSA-N
XLogP2.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Ethenyl-3-methyl-4H-1,2,4-triazole
CID 14545259
7H-[1,2,4]triazolo[4,3-a][1,4]diazepine
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1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 56977342
1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57246645
CID 59806643
CID 59806643
6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine
CID 68709462
1,5-Bis(ethenyl)-3-methyl-1,2,4-triazole
CID 70225297
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
3-methyl-4-[(1Z)-3-methylbuta-1,3-dienyl]-1,2,4-triazole
CID 89145136
(E)-2-(3-methyl-1,2,4-triazol-4-yl)ethenamine
CID 89340277
5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 90201343
5-Ethenyl-1-methyl-1,2,4-triazole
CID 115011042

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-1,2,4-triazole;ethane;ethene?
The IUPAC name of 3,4-bis(ethenyl)-1,2,4-triazole;ethane;ethene (CID 143195747) is 3,4-bis(ethenyl)-1,2,4-triazole;ethane;ethene.
What is the SMILES notation for 3,4-bis(ethenyl)-1,2,4-triazole;ethane;ethene?
The canonical SMILES for 3,4-bis(ethenyl)-1,2,4-triazole;ethane;ethene is C=C.C=Cc1nncn1C=C.CC.
What is the InChIKey of 3,4-bis(ethenyl)-1,2,4-triazole;ethane;ethene?
The InChIKey is VOOMDTMYLTYOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3.C2H6.C2H4/c1-3-6-8-7-5-9(6)4-2;2*1-2/h3-5H,1-2H2;1-2H3;1-2H2.
What are the key properties of 3,4-bis(ethenyl)-1,2,4-triazole;ethane;ethene?
3,4-bis(ethenyl)-1,2,4-triazole;ethane;ethene has a molecular weight of 179.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-1,2,4-triazole;ethane;ethene is sourced from PubChem (CID 143195747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).