1-but-1-enyl-1,2,4-triazole

C6H9N3 — CID 3799311

IUPAC1-but-1-enyl-1,2,4-triazole
SMILESCCC=Cn1cncn1
InChIInChI=1S/C6H9N3/c1-2-3-4-9-6-7-5-8-9/h3-6H,2H2,1H3
InChIKeyLMNXMWDROZTJAO-UHFFFAOYSA-N
MW123.16 g/mol
LogP1.16
Rot. Bonds2

About 1-but-1-enyl-1,2,4-triazole

1-but-1-enyl-1,2,4-triazole (PubChem CID 3799311) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 1-but-1-enyl-1,2,4-triazole.

Molecular Properties

Compound Name1-but-1-enyl-1,2,4-triazole
PubChem CID3799311
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1-but-1-enyl-1,2,4-triazole
SMILESCCC=Cn1cncn1
InChIInChI=1S/C6H9N3/c1-2-3-4-9-6-7-5-8-9/h3-6H,2H2,1H3
InChIKeyLMNXMWDROZTJAO-UHFFFAOYSA-N
XLogP1.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Vinyl-1,2,4-triazole
CID 565261
1-propa-1,2-dien-1-yl-1H-1,2,4-triazole
CID 642207
1-[(1Z)-2-fluorobuta-1,3-dienyl]-1,2,4-triazole
CID 143413676
Ugsddpanjkvxkn-ihwypqmzsa-
CID 13133626
1-Ethenyl-4-methyl-1,2,4-triazol-4-ium
CID 1271662
1-[(E)-but-1-enyl]-1,2,4-triazole
CID 5926094
1-[(E)-prop-1-enyl]-1,2,4-triazole
CID 5934849
1-(But-3-en-1-yl)-1H-1,2,4-triazole
CID 11147711
1-Ethenyl-4-methyl-1,2,4-triazol-4-ium iodide
CID 13327771
1-Ethenyl-4-prop-2-enyl-1,2,4-triazol-4-ium
CID 13327784
1-[(E)-but-1-enyl]tetrazole
CID 20274597
4-Methylidene-1-(1,2,4-triazol-4-yl)pyridine
CID 23534348

Frequently Asked Questions

What is the IUPAC name of 1-but-1-enyl-1,2,4-triazole?
The IUPAC name of 1-but-1-enyl-1,2,4-triazole (CID 3799311) is 1-but-1-enyl-1,2,4-triazole.
What is the SMILES notation for 1-but-1-enyl-1,2,4-triazole?
The canonical SMILES for 1-but-1-enyl-1,2,4-triazole is CCC=Cn1cncn1.
What is the InChIKey of 1-but-1-enyl-1,2,4-triazole?
The InChIKey is LMNXMWDROZTJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-3-4-9-6-7-5-8-9/h3-6H,2H2,1H3.
What are the key properties of 1-but-1-enyl-1,2,4-triazole?
1-but-1-enyl-1,2,4-triazole has a molecular weight of 123.16 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-enyl-1,2,4-triazole is sourced from PubChem (CID 3799311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).