6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one

C8H11N3O4 — CID 174215648

IUPAC6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one
SMILESO=c1ncnc(C2CC(O)C(CO)O2)[nH]1
InChIInChI=1S/C8H11N3O4/c12-2-6-4(13)1-5(15-6)7-9-3-10-8(14)11-7/h3-6,12-13H,1-2H2,(H,9,10,11,14)
InChIKeyHKTXCBNWDQFNLM-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.65
Rot. Bonds2

About 6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one

6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one (PubChem CID 174215648) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one
PubChem CID174215648
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one
SMILESO=c1ncnc(C2CC(O)C(CO)O2)[nH]1
InChIInChI=1S/C8H11N3O4/c12-2-6-4(13)1-5(15-6)7-9-3-10-8(14)11-7/h3-6,12-13H,1-2H2,(H,9,10,11,14)
InChIKeyHKTXCBNWDQFNLM-UHFFFAOYSA-N
XLogP-1.65
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,5S)-5-(6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 124679420
2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
CID 67354949
4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-pteridin-2-one
CID 67727609
2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 142087831
(2R,3S,5R)-5-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 512707
6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
CID 90963679
5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
CID 58776109
(2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
CID 139054704
8-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 170585238
2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-5-carboxylic acid
CID 11651686
(2R,3R,5R,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 67701993
(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 154684690

Frequently Asked Questions

What is the IUPAC name of 6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one (CID 174215648) is 6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one is O=c1ncnc(C2CC(O)C(CO)O2)[nH]1.
What is the InChIKey of 6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one?
The InChIKey is HKTXCBNWDQFNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c12-2-6-4(13)1-5(15-6)7-9-3-10-8(14)11-7/h3-6,12-13H,1-2H2,(H,9,10,11,14).
What are the key properties of 6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one?
6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one has a molecular weight of 213.19 g/mol, XLogP of -1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 174215648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).