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

C11H20N4O4 — CID 22808829

IUPAC6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propyl-2H-1,3,5-triazin-4-one
SMILESCCCN1CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N
InChIInChI=1S/C11H20N4O4/c1-2-3-14-6-15(11(18)13-10(14)12)9-4-7(17)8(5-16)19-9/h7-9,16-17H,2-6H2,1H3,(H2,12,13,18)/t7-,8+,9+/m0/s1
InChIKeyGJNJADNEYMAAEM-DJLDLDEBSA-N
MW272.31 g/mol
LogP-1.13
Rot. Bonds4

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

6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propyl-2H-1,3,5-triazin-4-one (PubChem CID 22808829) has the molecular formula C11H20N4O4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propyl-2H-1,3,5-triazin-4-one.

Molecular Properties

Compound Name6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propyl-2H-1,3,5-triazin-4-one
PubChem CID22808829
Molecular FormulaC11H20N4O4
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propyl-2H-1,3,5-triazin-4-one
SMILESCCCN1CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N
InChIInChI=1S/C11H20N4O4/c1-2-3-14-6-15(11(18)13-10(14)12)9-4-7(17)8(5-16)19-9/h7-9,16-17H,2-6H2,1H3,(H2,12,13,18)/t7-,8+,9+/m0/s1
InChIKeyGJNJADNEYMAAEM-DJLDLDEBSA-N
XLogP-1.13
TPSA111.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propyl-2H-1,3,5-triazin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propyl-2H-1,3,5-triazin-4-one?
The IUPAC name of 6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propyl-2H-1,3,5-triazin-4-one (CID 22808829) is 6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propyl-2H-1,3,5-triazin-4-one.
What is the SMILES notation for 6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propyl-2H-1,3,5-triazin-4-one?
The canonical SMILES for 6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propyl-2H-1,3,5-triazin-4-one is CCCN1CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N.
What is the InChIKey of 6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propyl-2H-1,3,5-triazin-4-one?
The InChIKey is GJNJADNEYMAAEM-DJLDLDEBSA-N. The full InChI is InChI=1S/C11H20N4O4/c1-2-3-14-6-15(11(18)13-10(14)12)9-4-7(17)8(5-16)19-9/h7-9,16-17H,2-6H2,1H3,(H2,12,13,18)/t7-,8+,9+/m0/s1.
What are the key properties of 6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propyl-2H-1,3,5-triazin-4-one?
6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propyl-2H-1,3,5-triazin-4-one has a molecular weight of 272.31 g/mol, XLogP of -1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propyl-2H-1,3,5-triazin-4-one is sourced from PubChem (CID 22808829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).