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

C7H12N4O3 — CID 134974836

IUPAC4-amino-1-[(1R,2S)-2-hydroxy-1-methoxypropyl]-1,3,5-triazin-2-one
SMILESCO[C@H]([C@H](C)O)n1cnc(N)nc1=O
InChIInChI=1S/C7H12N4O3/c1-4(12)5(14-2)11-3-9-6(8)10-7(11)13/h3-5,12H,1-2H3,(H2,8,10,13)/t4-,5+/m0/s1
InChIKeyMAIVXFQXEQRYIH-CRCLSJGQSA-N
MW200.20 g/mol
LogP-1.25
Rot. Bonds3

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

4-amino-1-[(1R,2S)-2-hydroxy-1-methoxypropyl]-1,3,5-triazin-2-one (PubChem CID 134974836) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 4-amino-1-[(1R,2S)-2-hydroxy-1-methoxypropyl]-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-1-[(1R,2S)-2-hydroxy-1-methoxypropyl]-1,3,5-triazin-2-one
PubChem CID134974836
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name4-amino-1-[(1R,2S)-2-hydroxy-1-methoxypropyl]-1,3,5-triazin-2-one
SMILESCO[C@H]([C@H](C)O)n1cnc(N)nc1=O
InChIInChI=1S/C7H12N4O3/c1-4(12)5(14-2)11-3-9-6(8)10-7(11)13/h3-5,12H,1-2H3,(H2,8,10,13)/t4-,5+/m0/s1
InChIKeyMAIVXFQXEQRYIH-CRCLSJGQSA-N
XLogP-1.25
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(1R,2S)-2-hydroxy-1-methoxypropyl]-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-1-[(1R,2S)-2-hydroxy-1-methoxypropyl]-1,3,5-triazin-2-one (CID 134974836) is 4-amino-1-[(1R,2S)-2-hydroxy-1-methoxypropyl]-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-1-[(1R,2S)-2-hydroxy-1-methoxypropyl]-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-1-[(1R,2S)-2-hydroxy-1-methoxypropyl]-1,3,5-triazin-2-one is CO[C@H]([C@H](C)O)n1cnc(N)nc1=O.
What is the InChIKey of 4-amino-1-[(1R,2S)-2-hydroxy-1-methoxypropyl]-1,3,5-triazin-2-one?
The InChIKey is MAIVXFQXEQRYIH-CRCLSJGQSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-4(12)5(14-2)11-3-9-6(8)10-7(11)13/h3-5,12H,1-2H3,(H2,8,10,13)/t4-,5+/m0/s1.
What are the key properties of 4-amino-1-[(1R,2S)-2-hydroxy-1-methoxypropyl]-1,3,5-triazin-2-one?
4-amino-1-[(1R,2S)-2-hydroxy-1-methoxypropyl]-1,3,5-triazin-2-one has a molecular weight of 200.20 g/mol, XLogP of -1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(1R,2S)-2-hydroxy-1-methoxypropyl]-1,3,5-triazin-2-one is sourced from PubChem (CID 134974836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).