4-[(Z)-but-2-en-2-yl]-1,2,4-triazole

C6H9N3 — CID 142062885

IUPAC4-[(Z)-but-2-en-2-yl]-1,2,4-triazole
SMILESC/C=C(/C)n1cnnc1
InChIInChI=1S/C6H9N3/c1-3-6(2)9-4-7-8-5-9/h3-5H,1-2H3/b6-3-
InChIKeyOTYIDNYGSOSBIV-UTCJRWHESA-N
MW123.16 g/mol
LogP1.16
Rot. Bonds1

About 4-[(Z)-but-2-en-2-yl]-1,2,4-triazole

4-[(Z)-but-2-en-2-yl]-1,2,4-triazole (PubChem CID 142062885) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 4-[(Z)-but-2-en-2-yl]-1,2,4-triazole.

Molecular Properties

Compound Name4-[(Z)-but-2-en-2-yl]-1,2,4-triazole
PubChem CID142062885
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name4-[(Z)-but-2-en-2-yl]-1,2,4-triazole
SMILESC/C=C(/C)n1cnnc1
InChIInChI=1S/C6H9N3/c1-3-6(2)9-4-7-8-5-9/h3-5H,1-2H3/b6-3-
InChIKeyOTYIDNYGSOSBIV-UTCJRWHESA-N
XLogP1.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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

N-isopropenyl-1,2,4-tri-azole
CID 21593524
5-Fluoro-1-prop-1-en-2-yl-1,2,4-triazole
CID 177021723
1-Ethenyl-4-prop-2-enyl-1,2,4-triazol-4-ium
CID 13327784
4-But-2-enyl-1,2,4-triazole
CID 54402800
N,N,5-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-amine
CID 66716527
4-[(3E,5E)-5-bromohepta-1,3,5-trien-3-yl]-1,2,4-triazole
CID 88966694
1-But-2-en-2-yl-1,2,4-triazole
CID 91340309
1-Penta-2,4-dien-2-yl-1,2,4-triazole
CID 123196107
1-But-2-en-2-yltetrazole
CID 123381709
4-Hepta-1,3,5-trien-4-yl-1,2,4-triazole
CID 123402685
1-Penta-1,3-dien-3-yl-1,2,4-triazole
CID 123631771
1-(5-Methylhexa-2,4-dien-2-yl)-1,2,4-triazole
CID 123897256

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-en-2-yl]-1,2,4-triazole?
The IUPAC name of 4-[(Z)-but-2-en-2-yl]-1,2,4-triazole (CID 142062885) is 4-[(Z)-but-2-en-2-yl]-1,2,4-triazole.
What is the SMILES notation for 4-[(Z)-but-2-en-2-yl]-1,2,4-triazole?
The canonical SMILES for 4-[(Z)-but-2-en-2-yl]-1,2,4-triazole is C/C=C(/C)n1cnnc1.
What is the InChIKey of 4-[(Z)-but-2-en-2-yl]-1,2,4-triazole?
The InChIKey is OTYIDNYGSOSBIV-UTCJRWHESA-N. The full InChI is InChI=1S/C6H9N3/c1-3-6(2)9-4-7-8-5-9/h3-5H,1-2H3/b6-3-.
What are the key properties of 4-[(Z)-but-2-en-2-yl]-1,2,4-triazole?
4-[(Z)-but-2-en-2-yl]-1,2,4-triazole has a molecular weight of 123.16 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-en-2-yl]-1,2,4-triazole is sourced from PubChem (CID 142062885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).