2-amino-8-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one

C10H13N5O3 — CID 14861990

IUPAC2-amino-8-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one
SMILESNc1nc(=O)n2ccn([C@H]3CC[C@@H](CO)O3)c2n1
InChIInChI=1S/C10H13N5O3/c11-8-12-9-14(3-4-15(9)10(17)13-8)7-2-1-6(5-16)18-7/h3-4,6-7,16H,1-2,5H2,(H2,11,13,17)/t6-,7+/m0/s1
InChIKeyAKAUOGYOUMAXJJ-NKWVEPMBSA-N
MW251.25 g/mol
LogP-0.86
Rot. Bonds2

About 2-amino-8-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one

2-amino-8-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 14861990) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-amino-8-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-amino-8-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID14861990
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name2-amino-8-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one
SMILESNc1nc(=O)n2ccn([C@H]3CC[C@@H](CO)O3)c2n1
InChIInChI=1S/C10H13N5O3/c11-8-12-9-14(3-4-15(9)10(17)13-8)7-2-1-6(5-16)18-7/h3-4,6-7,16H,1-2,5H2,(H2,11,13,17)/t6-,7+/m0/s1
InChIKeyAKAUOGYOUMAXJJ-NKWVEPMBSA-N
XLogP-0.86
TPSA107.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-8-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one
CID 15955846
2-amino-8-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one
CID 92529200
4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
4-amino-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 71158798
2-amino-8-[(2R,3S,4R,5R)-3-chloro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one
CID 11507980
2-amino-8-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one;hydrate
CID 139060898
4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane
CID 160959975
2-amino-8-[3,4-dihydroxy-5-(sulfanylmethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one
CID 58603081
2-amino-8-[5-(azidomethyl)-3,4-dihydroxyoxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one
CID 58603110
[(2S,5R)-5-(2-amino-4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
CID 88578748
4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 169201542
4-amino-5-(3-aminoprop-1-ynyl)-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 54143614

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-amino-8-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one (CID 14861990) is 2-amino-8-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-amino-8-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-amino-8-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one is Nc1nc(=O)n2ccn([C@H]3CC[C@@H](CO)O3)c2n1.
What is the InChIKey of 2-amino-8-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is AKAUOGYOUMAXJJ-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H13N5O3/c11-8-12-9-14(3-4-15(9)10(17)13-8)7-2-1-6(5-16)18-7/h3-4,6-7,16H,1-2,5H2,(H2,11,13,17)/t6-,7+/m0/s1.
What are the key properties of 2-amino-8-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one?
2-amino-8-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 251.25 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 14861990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).