1-[4-amino-6-(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol

C7H12N4O2 — CID 174951671

IUPAC1-[4-amino-6-(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol
SMILESCC(O)c1nc(N)nc(C(C)O)n1
InChIInChI=1S/C7H12N4O2/c1-3(12)5-9-6(4(2)13)11-7(8)10-5/h3-4,12-13H,1-2H3,(H2,8,9,10,11)
InChIKeyUIWWXNNBBWLZNO-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.44
Rot. Bonds2

About 1-[4-amino-6-(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol

1-[4-amino-6-(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol (PubChem CID 174951671) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-[4-amino-6-(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-amino-6-(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol
PubChem CID174951671
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name1-[4-amino-6-(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol
SMILESCC(O)c1nc(N)nc(C(C)O)n1
InChIInChI=1S/C7H12N4O2/c1-3(12)5-9-6(4(2)13)11-7(8)10-5/h3-4,12-13H,1-2H3,(H2,8,9,10,11)
InChIKeyUIWWXNNBBWLZNO-UHFFFAOYSA-N
XLogP-0.44
TPSA105.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-6-(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol?
The IUPAC name of 1-[4-amino-6-(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol (CID 174951671) is 1-[4-amino-6-(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol.
What is the SMILES notation for 1-[4-amino-6-(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol?
The canonical SMILES for 1-[4-amino-6-(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol is CC(O)c1nc(N)nc(C(C)O)n1.
What is the InChIKey of 1-[4-amino-6-(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol?
The InChIKey is UIWWXNNBBWLZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-3(12)5-9-6(4(2)13)11-7(8)10-5/h3-4,12-13H,1-2H3,(H2,8,9,10,11).
What are the key properties of 1-[4-amino-6-(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol?
1-[4-amino-6-(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol has a molecular weight of 184.20 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-6-(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol is sourced from PubChem (CID 174951671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).