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114412-66-7 | 1H-1,2,4-Triazole-3-carboxamide, 1-[(2R,5S)-tetrahydro-5-(hydroxymethyl)-2-furanyl]-
CAS No: 114412-66-7 Catalog No: AG000B9Z MDL No:
Product Description
Catalog Number:
AG000B9Z
Chemical Name:
1H-1,2,4-Triazole-3-carboxamide, 1-[(2R,5S)-tetrahydro-5-(hydroxymethyl)-2-furanyl]-
CAS Number:
114412-66-7
Molecular Formula:
C8H12N4O3
Molecular Weight:
212.2059
IUPAC Name:
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C8H12N4O3/c9-7(14)8-10-4-12(11-8)6-2-1-5(3-13)15-6/h4-6,13H,1-3H2,(H2,9,14)/t5-,6+/m0/s1
InChI Key:
CEQVBLRXFOWHHO-NTSWFWBYSA-N
SMILES:
NC(=O)c1nn(cn1)[C@H]1CC[C@H](O1)CO
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
212.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.209g/mol
Monoisotopic Mass:
212.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
Literature
| Title | Journal |
|---|---|
| Evaluation of the effects of erythro-9(2-hydroxy-3-nonyl) adenine (EHNA) on HIV-1 production in vitro. | Biochemical and biophysical research communications 19891016 |
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