4-amino-1-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]methyl]-1,3,5-triazin-2-one

C9H14N4O5 — CID 123521355

IUPAC4-amino-1-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]methyl]-1,3,5-triazin-2-one
SMILESNc1ncn(CC2(O)COC(CO)C2O)c(=O)n1
InChIInChI=1S/C9H14N4O5/c10-7-11-4-13(8(16)12-7)2-9(17)3-18-5(1-14)6(9)15/h4-6,14-15,17H,1-3H2,(H2,10,12,16)
InChIKeySVWOIYCZOQMPBS-UHFFFAOYSA-N
MW258.23 g/mol
LogP-3.30
Rot. Bonds3

About 4-amino-1-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]methyl]-1,3,5-triazin-2-one

4-amino-1-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]methyl]-1,3,5-triazin-2-one (PubChem CID 123521355) has the molecular formula C9H14N4O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is 4-amino-1-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]methyl]-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-1-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]methyl]-1,3,5-triazin-2-one
PubChem CID123521355
Molecular FormulaC9H14N4O5
Molecular Weight258.23 g/mol
Exact Mass258.10
IUPAC Name4-amino-1-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]methyl]-1,3,5-triazin-2-one
SMILESNc1ncn(CC2(O)COC(CO)C2O)c(=O)n1
InChIInChI=1S/C9H14N4O5/c10-7-11-4-13(8(16)12-7)2-9(17)3-18-5(1-14)6(9)15/h4-6,14-15,17H,1-3H2,(H2,10,12,16)
InChIKeySVWOIYCZOQMPBS-UHFFFAOYSA-N
XLogP-3.30
TPSA143.72 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-3.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-amino-1-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]methyl]-1,3,5-triazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346
4-amino-1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 158812612
4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 1805
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 67397647
4-(15N)azanyl-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-(1,3,5-15N3)1,3,5-triazin-2-one
CID 57369194
4-amino-1-[(2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl)methyl]-1,3,5-triazin-2-one;ethane
CID 143480780
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;hydrochloride
CID 174941863
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-triethylsilyloxolan-2-yl]-1,3,5-triazin-2-one
CID 175725659
4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;molecular nitrogen
CID 141254642
4-amino-1-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3,5-triazin-2-one
CID 77227669
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;butanedioic acid
CID 53241413
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 66944209

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]methyl]-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-1-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]methyl]-1,3,5-triazin-2-one (CID 123521355) is 4-amino-1-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]methyl]-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-1-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]methyl]-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-1-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]methyl]-1,3,5-triazin-2-one is Nc1ncn(CC2(O)COC(CO)C2O)c(=O)n1.
What is the InChIKey of 4-amino-1-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]methyl]-1,3,5-triazin-2-one?
The InChIKey is SVWOIYCZOQMPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O5/c10-7-11-4-13(8(16)12-7)2-9(17)3-18-5(1-14)6(9)15/h4-6,14-15,17H,1-3H2,(H2,10,12,16).
What are the key properties of 4-amino-1-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]methyl]-1,3,5-triazin-2-one?
4-amino-1-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]methyl]-1,3,5-triazin-2-one has a molecular weight of 258.23 g/mol, XLogP of -3.30, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]methyl]-1,3,5-triazin-2-one is sourced from PubChem (CID 123521355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).