Chemical Properties of 7-Chloro-s-triazolopyrimidine-5(1H)-one

InChI

InChI=1S/C5H3ClN4O/c6-3-1-4(11)10-5(9-3)7-2-8-10/h1-2H,(H,7,8,9)

InChI Key

OIMZPIMUQKSKGZ-UHFFFAOYSA-N

Formula

C5H3ClN4O

SMILES

O=c1cc(Cl)nc2nc[nH]n12

Molecular Weight¹

170.56

• 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	-0.411		Crippen Calculated Property
McVol	100.420	ml/mol	McGowan Calculated Property
Inp	[1669.00; 1669.00]
Inp	1669.00		NIST
Inp	1669.00		NIST

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Similar Compounds

Find more compounds similar to 7-Chloro-s-triazolopyrimidine-5(1H)-one.

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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