4-amino-1-[(1R)-3-hydroxy-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]-1,3,5-triazin-2-one

C9H16N4O4 — CID 71163044

IUPAC4-amino-1-[(1R)-3-hydroxy-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]-1,3,5-triazin-2-one
SMILESC[C@@H](CO)O[C@H](CCO)n1cnc(N)nc1=O
InChIInChI=1S/C9H16N4O4/c1-6(4-15)17-7(2-3-14)13-5-11-8(10)12-9(13)16/h5-7,14-15H,2-4H2,1H3,(H2,10,12,16)/t6-,7+/m0/s1
InChIKeyGPKMMINQWQOPDH-NKWVEPMBSA-N
MW244.25 g/mol
LogP-1.50
Rot. Bonds6

About 4-amino-1-[(1R)-3-hydroxy-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]-1,3,5-triazin-2-one

4-amino-1-[(1R)-3-hydroxy-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]-1,3,5-triazin-2-one (PubChem CID 71163044) has the molecular formula C9H16N4O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-amino-1-[(1R)-3-hydroxy-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-1-[(1R)-3-hydroxy-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]-1,3,5-triazin-2-one
PubChem CID71163044
Molecular FormulaC9H16N4O4
Molecular Weight244.25 g/mol
Exact Mass244.12
IUPAC Name4-amino-1-[(1R)-3-hydroxy-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]-1,3,5-triazin-2-one
SMILESC[C@@H](CO)O[C@H](CCO)n1cnc(N)nc1=O
InChIInChI=1S/C9H16N4O4/c1-6(4-15)17-7(2-3-14)13-5-11-8(10)12-9(13)16/h5-7,14-15H,2-4H2,1H3,(H2,10,12,16)/t6-,7+/m0/s1
InChIKeyGPKMMINQWQOPDH-NKWVEPMBSA-N
XLogP-1.50
TPSA123.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(1R)-3-hydroxy-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-1-[(1R)-3-hydroxy-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]-1,3,5-triazin-2-one (CID 71163044) is 4-amino-1-[(1R)-3-hydroxy-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-1-[(1R)-3-hydroxy-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-1-[(1R)-3-hydroxy-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]-1,3,5-triazin-2-one is C[C@@H](CO)O[C@H](CCO)n1cnc(N)nc1=O.
What is the InChIKey of 4-amino-1-[(1R)-3-hydroxy-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]-1,3,5-triazin-2-one?
The InChIKey is GPKMMINQWQOPDH-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H16N4O4/c1-6(4-15)17-7(2-3-14)13-5-11-8(10)12-9(13)16/h5-7,14-15H,2-4H2,1H3,(H2,10,12,16)/t6-,7+/m0/s1.
What are the key properties of 4-amino-1-[(1R)-3-hydroxy-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]-1,3,5-triazin-2-one?
4-amino-1-[(1R)-3-hydroxy-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]-1,3,5-triazin-2-one has a molecular weight of 244.25 g/mol, XLogP of -1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(1R)-3-hydroxy-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]-1,3,5-triazin-2-one is sourced from PubChem (CID 71163044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).