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

C8H14N4O3 — CID 137432117

IUPAC4-amino-1-[1-(1-hydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one
SMILESCC(CO)OC(C)n1cnc(N)nc1=O
InChIInChI=1S/C8H14N4O3/c1-5(3-13)15-6(2)12-4-10-7(9)11-8(12)14/h4-6,13H,3H2,1-2H3,(H2,9,11,14)
InChIKeyNISCHBRGYWWFHD-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.86
Rot. Bonds4

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

4-amino-1-[1-(1-hydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one (PubChem CID 137432117) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-amino-1-[1-(1-hydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-1-[1-(1-hydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one
PubChem CID137432117
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name4-amino-1-[1-(1-hydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one
SMILESCC(CO)OC(C)n1cnc(N)nc1=O
InChIInChI=1S/C8H14N4O3/c1-5(3-13)15-6(2)12-4-10-7(9)11-8(12)14/h4-6,13H,3H2,1-2H3,(H2,9,11,14)
InChIKeyNISCHBRGYWWFHD-UHFFFAOYSA-N
XLogP-0.86
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[1-(1-hydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-1-[1-(1-hydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one (CID 137432117) is 4-amino-1-[1-(1-hydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-1-[1-(1-hydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-1-[1-(1-hydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one is CC(CO)OC(C)n1cnc(N)nc1=O.
What is the InChIKey of 4-amino-1-[1-(1-hydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one?
The InChIKey is NISCHBRGYWWFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-5(3-13)15-6(2)12-4-10-7(9)11-8(12)14/h4-6,13H,3H2,1-2H3,(H2,9,11,14).
What are the key properties of 4-amino-1-[1-(1-hydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one?
4-amino-1-[1-(1-hydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one has a molecular weight of 214.22 g/mol, XLogP of -0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[1-(1-hydroxypropan-2-yloxy)ethyl]-1,3,5-triazin-2-one is sourced from PubChem (CID 137432117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).