Chemical Properties of 1H-1,2,4-Triazole, 3-propyl-

InChI

InChI=1S/C5H9N3/c1-2-3-5-6-4-7-8-5/h4H,2-3H2,1H3,(H,6,7,8)

InChI Key

ZFWJVKLPEZPKNL-UHFFFAOYSA-N

Formula

C5H9N3

SMILES

CCCc1nc[nH]n1

Molecular Weight¹

111.15

Other Names

• s-Triazole, 3-propyl-

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	0.275		Crippen Calculated Property
McVol	91.790	ml/mol	McGowan Calculated Property
Inp	[1172.00; 1172.00]
Inp	1172.00		NIST
Inp	1172.00		NIST

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Similar Compounds

Find more compounds similar to 1H-1,2,4-Triazole, 3-propyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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