5-[(Z)-but-1-enyl]-1-ethenyl-1,2,4-triazole

C8H11N3 — CID 142875349

IUPAC5-[(Z)-but-1-enyl]-1-ethenyl-1,2,4-triazole
SMILESC=Cn1ncnc1/C=C\CC
InChIInChI=1S/C8H11N3/c1-3-5-6-8-9-7-10-11(8)4-2/h4-7H,2-3H2,1H3/b6-5-
InChIKeyDABBMAXYYCSAGG-WAYWQWQTSA-N
MW149.20 g/mol
LogP1.80
Rot. Bonds3

About 5-[(Z)-but-1-enyl]-1-ethenyl-1,2,4-triazole

5-[(Z)-but-1-enyl]-1-ethenyl-1,2,4-triazole (PubChem CID 142875349) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 5-[(Z)-but-1-enyl]-1-ethenyl-1,2,4-triazole.

Molecular Properties

Compound Name5-[(Z)-but-1-enyl]-1-ethenyl-1,2,4-triazole
PubChem CID142875349
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name5-[(Z)-but-1-enyl]-1-ethenyl-1,2,4-triazole
SMILESC=Cn1ncnc1/C=C\CC
InChIInChI=1S/C8H11N3/c1-3-5-6-8-9-7-10-11(8)4-2/h4-7H,2-3H2,1H3/b6-5-
InChIKeyDABBMAXYYCSAGG-WAYWQWQTSA-N
XLogP1.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Fluoro-7-methyl-[1,2,4]triazolo[1,5-a]azepine
CID 130428247
5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 134468907
1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 56977342
9H-[1,2,4]triazolo[1,5-a]azepine
CID 57200916
1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57246645
2-Methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 59299738
CID 59806643
CID 59806643
CID 59806670
CID 59806670
CID 59806673
CID 59806673
1,5-Bis(ethenyl)-3-methyl-1,2,4-triazole
CID 70225297
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole
CID 88558971

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-enyl]-1-ethenyl-1,2,4-triazole?
The IUPAC name of 5-[(Z)-but-1-enyl]-1-ethenyl-1,2,4-triazole (CID 142875349) is 5-[(Z)-but-1-enyl]-1-ethenyl-1,2,4-triazole.
What is the SMILES notation for 5-[(Z)-but-1-enyl]-1-ethenyl-1,2,4-triazole?
The canonical SMILES for 5-[(Z)-but-1-enyl]-1-ethenyl-1,2,4-triazole is C=Cn1ncnc1/C=C\CC.
What is the InChIKey of 5-[(Z)-but-1-enyl]-1-ethenyl-1,2,4-triazole?
The InChIKey is DABBMAXYYCSAGG-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-5-6-8-9-7-10-11(8)4-2/h4-7H,2-3H2,1H3/b6-5-.
What are the key properties of 5-[(Z)-but-1-enyl]-1-ethenyl-1,2,4-triazole?
5-[(Z)-but-1-enyl]-1-ethenyl-1,2,4-triazole has a molecular weight of 149.20 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-enyl]-1-ethenyl-1,2,4-triazole is sourced from PubChem (CID 142875349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).