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

C9H15N3 — CID 143195797

IUPAC3,4-bis(ethenyl)-1,2,4-triazole;propane
SMILESC=Cc1nncn1C=C.CCC
InChIInChI=1S/C6H7N3.C3H8/c1-3-6-8-7-5-9(6)4-2;1-3-2/h3-5H,1-2H2;3H2,1-2H3
InChIKeyQLMLDCSSMXSKKB-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.44
Rot. Bonds2

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

3,4-bis(ethenyl)-1,2,4-triazole;propane (PubChem CID 143195797) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-1,2,4-triazole;propane.

Molecular Properties

Compound Name3,4-bis(ethenyl)-1,2,4-triazole;propane
PubChem CID143195797
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3,4-bis(ethenyl)-1,2,4-triazole;propane
SMILESC=Cc1nncn1C=C.CCC
InChIInChI=1S/C6H7N3.C3H8/c1-3-6-8-7-5-9(6)4-2;1-3-2/h3-5H,1-2H2;3H2,1-2H3
InChIKeyQLMLDCSSMXSKKB-UHFFFAOYSA-N
XLogP2.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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[2,1-c][1,2,4]triazole
CID 22630679
9H-[1,2,4]Triazolo[4,3-a][1,4]diazepine
CID 45087595
7H-[1,2,4]triazolo[4,3-a][1,4]diazepine
CID 54002540
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
2-Methylidene-1-propan-2-yl-4-(1,2,4-triazol-1-yl)pyrimidine
CID 58337056
CID 59806643
CID 59806643
3,4-Bis(prop-2-enyl)-1,2,4-triazole
CID 67685086

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-1,2,4-triazole;propane?
The IUPAC name of 3,4-bis(ethenyl)-1,2,4-triazole;propane (CID 143195797) is 3,4-bis(ethenyl)-1,2,4-triazole;propane.
What is the SMILES notation for 3,4-bis(ethenyl)-1,2,4-triazole;propane?
The canonical SMILES for 3,4-bis(ethenyl)-1,2,4-triazole;propane is C=Cc1nncn1C=C.CCC.
What is the InChIKey of 3,4-bis(ethenyl)-1,2,4-triazole;propane?
The InChIKey is QLMLDCSSMXSKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3.C3H8/c1-3-6-8-7-5-9(6)4-2;1-3-2/h3-5H,1-2H2;3H2,1-2H3.
What are the key properties of 3,4-bis(ethenyl)-1,2,4-triazole;propane?
3,4-bis(ethenyl)-1,2,4-triazole;propane has a molecular weight of 165.24 g/mol, XLogP of 2.44, 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;propane is sourced from PubChem (CID 143195797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).