4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxypropyl]-1,3,5-triazin-2-one

C9H16N4O5 — CID 71250243

IUPAC4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxypropyl]-1,3,5-triazin-2-one
SMILESCC(O)[C@@H](OC(CO)CO)n1cnc(N)nc1=O
InChIInChI=1S/C9H16N4O5/c1-5(16)7(18-6(2-14)3-15)13-4-11-8(10)12-9(13)17/h4-7,14-16H,2-3H2,1H3,(H2,10,12,17)/t5?,7-/m1/s1
InChIKeyCOECXLAMNALRIQ-NQPNHJOESA-N
MW260.25 g/mol
LogP-2.53
Rot. Bonds6

About 4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxypropyl]-1,3,5-triazin-2-one

4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxypropyl]-1,3,5-triazin-2-one (PubChem CID 71250243) has the molecular formula C9H16N4O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxypropyl]-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxypropyl]-1,3,5-triazin-2-one
PubChem CID71250243
Molecular FormulaC9H16N4O5
Molecular Weight260.25 g/mol
Exact Mass260.11
IUPAC Name4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxypropyl]-1,3,5-triazin-2-one
SMILESCC(O)[C@@H](OC(CO)CO)n1cnc(N)nc1=O
InChIInChI=1S/C9H16N4O5/c1-5(16)7(18-6(2-14)3-15)13-4-11-8(10)12-9(13)17/h4-7,14-16H,2-3H2,1H3,(H2,10,12,17)/t5?,7-/m1/s1
InChIKeyCOECXLAMNALRIQ-NQPNHJOESA-N
XLogP-2.53
TPSA143.72 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-2.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxypropyl]-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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxypropyl]-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxypropyl]-1,3,5-triazin-2-one (CID 71250243) is 4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxypropyl]-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxypropyl]-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxypropyl]-1,3,5-triazin-2-one is CC(O)[C@@H](OC(CO)CO)n1cnc(N)nc1=O.
What is the InChIKey of 4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxypropyl]-1,3,5-triazin-2-one?
The InChIKey is COECXLAMNALRIQ-NQPNHJOESA-N. The full InChI is InChI=1S/C9H16N4O5/c1-5(16)7(18-6(2-14)3-15)13-4-11-8(10)12-9(13)17/h4-7,14-16H,2-3H2,1H3,(H2,10,12,17)/t5?,7-/m1/s1.
What are the key properties of 4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxypropyl]-1,3,5-triazin-2-one?
4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxypropyl]-1,3,5-triazin-2-one has a molecular weight of 260.25 g/mol, XLogP of -2.53, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxypropyl]-1,3,5-triazin-2-one is sourced from PubChem (CID 71250243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).