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

C8H14N4O4 — CID 70952674

IUPAC4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one
SMILESC[C@@H](OC(CO)CO)n1cnc(N)nc1=O
InChIInChI=1S/C8H14N4O4/c1-5(16-6(2-13)3-14)12-4-10-7(9)11-8(12)15/h4-6,13-14H,2-3H2,1H3,(H2,9,11,15)/t5-/m1/s1
InChIKeyABVWPLVNVNOLEO-RXMQYKEDSA-N
MW230.22 g/mol
LogP-1.89
Rot. Bonds5

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

4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one (PubChem CID 70952674) has the molecular formula C8H14N4O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one
PubChem CID70952674
Molecular FormulaC8H14N4O4
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one
SMILESC[C@@H](OC(CO)CO)n1cnc(N)nc1=O
InChIInChI=1S/C8H14N4O4/c1-5(16-6(2-13)3-14)12-4-10-7(9)11-8(12)15/h4-6,13-14H,2-3H2,1H3,(H2,9,11,15)/t5-/m1/s1
InChIKeyABVWPLVNVNOLEO-RXMQYKEDSA-N
XLogP-1.89
TPSA123.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.89
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)-1-(1,3-dihydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one (CID 70952674) is 4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one is C[C@@H](OC(CO)CO)n1cnc(N)nc1=O.
What is the InChIKey of 4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one?
The InChIKey is ABVWPLVNVNOLEO-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H14N4O4/c1-5(16-6(2-13)3-14)12-4-10-7(9)11-8(12)15/h4-6,13-14H,2-3H2,1H3,(H2,9,11,15)/t5-/m1/s1.
What are the key properties of 4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one?
4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one has a molecular weight of 230.22 g/mol, XLogP of -1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one is sourced from PubChem (CID 70952674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).