4-prop-2-enyl-1,2,4-triazole

C5H7N3 — CID 10898671

IUPAC4-prop-2-enyl-1,2,4-triazole
SMILESC=CCn1cnnc1
InChIInChI=1S/C5H7N3/c1-2-3-8-4-6-7-5-8/h2,4-5H,1,3H2
InChIKeyIGTRXABPOYZWRR-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.46
Rot. Bonds2

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

4-prop-2-enyl-1,2,4-triazole (PubChem CID 10898671) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 4-prop-2-enyl-1,2,4-triazole.

Molecular Properties

Compound Name4-prop-2-enyl-1,2,4-triazole
PubChem CID10898671
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name4-prop-2-enyl-1,2,4-triazole
SMILESC=CCn1cnnc1
InChIInChI=1S/C5H7N3/c1-2-3-8-4-6-7-5-8/h2,4-5H,1,3H2
InChIKeyIGTRXABPOYZWRR-UHFFFAOYSA-N
XLogP0.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1H-1,2,4-Triazole, 1-(2-propenyl)-
CID 572564
1H-Tetrazole, 1-(2-propenyl)-
CID 12048190
4-Allyl-3-nitro-1,2,4-triazole
CID 1907920
1-(But-3-en-1-yl)-1H-1,2,4-triazole
CID 11147711
1-[(E)-but-2-enyl]-1,2,4-triazole
CID 12591949
N-prop-2-enyl-N-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine
CID 13325786
1-Ethenyl-4-prop-2-enyl-1,2,4-triazol-4-ium
CID 13327784
1-(Prop-2-en-1-yl)-1H-1,2,4-triazol-3-amine
CID 19833650
1-Methyl-4-prop-2-enyl-1,2,4-triazol-4-ium-3-thiolate
CID 22373982
4-But-2-enyl-1,2,4-triazole
CID 54402800
4-Prop-2-enyl-1,2,4-triazol-3-amine
CID 55290036
1,4-Bis(prop-2-enyl)-1,2,4-triazol-4-ium
CID 66809833

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-1,2,4-triazole?
The IUPAC name of 4-prop-2-enyl-1,2,4-triazole (CID 10898671) is 4-prop-2-enyl-1,2,4-triazole.
What is the SMILES notation for 4-prop-2-enyl-1,2,4-triazole?
The canonical SMILES for 4-prop-2-enyl-1,2,4-triazole is C=CCn1cnnc1.
What is the InChIKey of 4-prop-2-enyl-1,2,4-triazole?
The InChIKey is IGTRXABPOYZWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-2-3-8-4-6-7-5-8/h2,4-5H,1,3H2.
What are the key properties of 4-prop-2-enyl-1,2,4-triazole?
4-prop-2-enyl-1,2,4-triazole has a molecular weight of 109.13 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-1,2,4-triazole is sourced from PubChem (CID 10898671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).