1,5-bis(ethenyl)-1,2,4-triazole;ethane

C8H13N3 — CID 143195793

IUPAC1,5-bis(ethenyl)-1,2,4-triazole;ethane
SMILESC=Cc1ncnn1C=C.CC
InChIInChI=1S/C6H7N3.C2H6/c1-3-6-7-5-8-9(6)4-2;1-2/h3-5H,1-2H2;1-2H3
InChIKeyRDIGTATZWBUZOM-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.05
Rot. Bonds2

About 1,5-bis(ethenyl)-1,2,4-triazole;ethane

1,5-bis(ethenyl)-1,2,4-triazole;ethane (PubChem CID 143195793) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,5-bis(ethenyl)-1,2,4-triazole;ethane.

Molecular Properties

Compound Name1,5-bis(ethenyl)-1,2,4-triazole;ethane
PubChem CID143195793
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1,5-bis(ethenyl)-1,2,4-triazole;ethane
SMILESC=Cc1ncnn1C=C.CC
InChIInChI=1S/C6H7N3.C2H6/c1-3-6-7-5-8-9(6)4-2;1-2/h3-5H,1-2H2;1-2H3
InChIKeyRDIGTATZWBUZOM-UHFFFAOYSA-N
XLogP2.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethenyl-3,5-dimethyl-1H-1,2,4-triazole
CID 15696005
7-Fluoro-7-methyl-[1,2,4]triazolo[1,5-a]azepine
CID 130428247
1-Ethenyl-3-methyl-1,2,4-triazole
CID 13739249
1-Ethenyl-5-methyl-1H-1,2,4-triazole
CID 13739250
1-Vinyl-1,2,4-triazole-acrylonitrile
CID 129880152
4-Ethenyl-3-methyl-4H-1,2,4-triazole
CID 14545259
5H-pyrrolo[1,2-b][1,2,4]triazole
CID 22630677
3-Ethenyl-1-sulfanyl-1,2,4-triazole
CID 23225434
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
1-Ethenyl-5-propan-2-yl-1,2,4-triazole
CID 58336971
2-Methylidene-1-propan-2-yl-4-(1,2,4-triazol-1-yl)pyrimidine
CID 58337056

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(ethenyl)-1,2,4-triazole;ethane?
The IUPAC name of 1,5-bis(ethenyl)-1,2,4-triazole;ethane (CID 143195793) is 1,5-bis(ethenyl)-1,2,4-triazole;ethane.
What is the SMILES notation for 1,5-bis(ethenyl)-1,2,4-triazole;ethane?
The canonical SMILES for 1,5-bis(ethenyl)-1,2,4-triazole;ethane is C=Cc1ncnn1C=C.CC.
What is the InChIKey of 1,5-bis(ethenyl)-1,2,4-triazole;ethane?
The InChIKey is RDIGTATZWBUZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3.C2H6/c1-3-6-7-5-8-9(6)4-2;1-2/h3-5H,1-2H2;1-2H3.
What are the key properties of 1,5-bis(ethenyl)-1,2,4-triazole;ethane?
1,5-bis(ethenyl)-1,2,4-triazole;ethane has a molecular weight of 151.21 g/mol, XLogP of 2.05, 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)-1,2,4-triazole;ethane is sourced from PubChem (CID 143195793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).