5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,4-triazin-3-one

C8H12N4O4 — CID 174224301

IUPAC5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,4-triazin-3-one
SMILESC[C@H]1O[C@@H](n2ncc(N)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H12N4O4/c1-3-5(13)6(14)7(16-3)12-8(15)11-4(9)2-10-12/h2-3,5-7,13-14H,1H3,(H2,9,11,15)/t3-,5-,6-,7-/m1/s1
InChIKeyNCYMGZANEUDLBG-SHUUEZRQSA-N
MW228.21 g/mol
LogP-2.14
Rot. Bonds1

About 5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,4-triazin-3-one

5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,4-triazin-3-one (PubChem CID 174224301) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is 5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,4-triazin-3-one
PubChem CID174224301
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Name5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,4-triazin-3-one
SMILESC[C@H]1O[C@@H](n2ncc(N)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H12N4O4/c1-3-5(13)6(14)7(16-3)12-8(15)11-4(9)2-10-12/h2-3,5-7,13-14H,1H3,(H2,9,11,15)/t3-,5-,6-,7-/m1/s1
InChIKeyNCYMGZANEUDLBG-SHUUEZRQSA-N
XLogP-2.14
TPSA123.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,4-triazin-3-one with MolForge

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Related Compounds

[(2R,4S,5R)-5-(5-amino-3-oxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl (3R)-2-amino-3-methylpentanoate
CID 164541203
[(2R,4S,5R)-5-(5-amino-3-oxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3S)-2-amino-3-methylpentanoate
CID 164803704
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxyamino)-1,2,4-triazin-3-one
CID 137221145
5-amino-2-[(4R,6R)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2,4-triazin-3-one
CID 164541195
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidin-2-one
CID 157197209
2-[[[(2R,3S,4R,5R)-5-(5-amino-3-oxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoic acid
CID 174229350
2-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxy-1,2,4-triazin-3-one
CID 171762986
(3R,4S,5R)-2-(4-aminoimidazol-1-yl)-5-methyloxolane-3,4-diol
CID 69218256
1-[(2R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one
CID 58434485
5-amino-2-[(2R,5R)-3-ethynyl-3-fluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-1,2,4-triazin-3-one
CID 145393404
5-amino-2-methyl-1,2,4-triazin-3-one
CID 23516196
4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-iodopyrimidin-2-one
CID 515102

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,4-triazin-3-one?
The IUPAC name of 5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,4-triazin-3-one (CID 174224301) is 5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,4-triazin-3-one.
What is the SMILES notation for 5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,4-triazin-3-one?
The canonical SMILES for 5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,4-triazin-3-one is C[C@H]1O[C@@H](n2ncc(N)nc2=O)[C@H](O)[C@@H]1O.
What is the InChIKey of 5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,4-triazin-3-one?
The InChIKey is NCYMGZANEUDLBG-SHUUEZRQSA-N. The full InChI is InChI=1S/C8H12N4O4/c1-3-5(13)6(14)7(16-3)12-8(15)11-4(9)2-10-12/h2-3,5-7,13-14H,1H3,(H2,9,11,15)/t3-,5-,6-,7-/m1/s1.
What are the key properties of 5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,4-triazin-3-one?
5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,4-triazin-3-one has a molecular weight of 228.21 g/mol, XLogP of -2.14, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,4-triazin-3-one is sourced from PubChem (CID 174224301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).