1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide

Formula:C8H12N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide is a drug-like molecule.

MolName	1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
MolecularFormula	C8H12N4O5
Smiles	NC(c1nn([C@@H]([C@@H]2O)O[C@@H](CO)[C@@H]2O)cn1)=O
InChI	InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1
InChIK	IWUCXVSUMQZMFG-AFCXAGJDSA-N
TotalMolweight	244.206
Molweight	244.206
MonoisotopicMass	244.080771
CLogP	-2.9504
CLogS	-0.526
H Acceptors	9
H Donors	4
TotalSurfaceArea	165.56
Relative PSA	0.64279
PolarSurfaceArea	143.72
Druglikeness	1.724
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	9
Amides	1
Aromatic Nitrogens	3
StereoCon	this enantiomer

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1 - 1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide | 2 - 1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide

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