Chemical Properties of 3-Picrylamino-1,2,4-triazole (CAS 18212-12-9)

3-Picrylamino-1,2,4-triazole

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InChI
InChI=1S/C8H5N7O6/c16-13(17)4-1-5(14(18)19)7(6(2-4)15(20)21)11-8-9-3-10-12-8/h1-3H,(H2,9,10,11,12)
InChI Key
IRXQEVVGPQRIPA-UHFFFAOYSA-N
Formula
C8H5N7O6
SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2nc[nH]n2)c([N+](=O)[O-])c1
Molecular Weight1
295.17
CAS
18212-12-9
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Physical Properties

Property Value Unit Source
ΔcH°solid -4014.00 ± 2.00 kJ/mol NIST
ΔfH°solid 151.00 ± 4.00 kJ/mol NIST
log10WS -3.98 Crippen Calculated Property
logPoct/wat 0.791 Crippen Calculated Property
McVol 172.540 ml/mol McGowan Calculated Property

Similar Compounds

Creatonotine. Cytosine arabinoside, dimethyl-TMS derivative. 7-senecioyllycopsamine. [(7R)-7-Hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl hexanoate. 9-Hydroxyheptanoylretronecine. 3'-cis-cinnamoylindicine. 3'-trans-cinnamoylindicine. 3'-acetylindicine. 3'-acetylsupinine. Heliotrine (7S). Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1«alpha»,7(2R*,3S*),7a«alpha»]]-. SCHEMBL9488362. 3'-dihydrocinnamoylindicine. Cyclopentyl-hydroxy-phenyl-acetic acid 1-methyl-pyrrolidin-3-yl ester. 9-curassavoylheliotridine.

Find more compounds similar to 3-Picrylamino-1,2,4-triazole.

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