4-[(2-hydroxy-1,3-diazinan-4-yl)oxy]-1,3-diazinan-2-ol

C8H18N4O3 — CID 70584996

IUPAC4-[(2-hydroxy-1,3-diazinan-4-yl)oxy]-1,3-diazinan-2-ol
SMILESOC1NCCC(OC2CCNC(O)N2)N1
InChIInChI=1S/C8H18N4O3/c13-7-9-3-1-5(11-7)15-6-2-4-10-8(14)12-6/h5-14H,1-4H2
InChIKeyUOONBSQLWALXRY-UHFFFAOYSA-N
MW218.26 g/mol
LogP-2.63
Rot. Bonds2

About 4-[(2-hydroxy-1,3-diazinan-4-yl)oxy]-1,3-diazinan-2-ol

4-[(2-hydroxy-1,3-diazinan-4-yl)oxy]-1,3-diazinan-2-ol (PubChem CID 70584996) has the molecular formula C8H18N4O3 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-[(2-hydroxy-1,3-diazinan-4-yl)oxy]-1,3-diazinan-2-ol.

Molecular Properties

Compound Name4-[(2-hydroxy-1,3-diazinan-4-yl)oxy]-1,3-diazinan-2-ol
PubChem CID70584996
Molecular FormulaC8H18N4O3
Molecular Weight218.26 g/mol
Exact Mass218.14
IUPAC Name4-[(2-hydroxy-1,3-diazinan-4-yl)oxy]-1,3-diazinan-2-ol
SMILESOC1NCCC(OC2CCNC(O)N2)N1
InChIInChI=1S/C8H18N4O3/c13-7-9-3-1-5(11-7)15-6-2-4-10-8(14)12-6/h5-14H,1-4H2
InChIKeyUOONBSQLWALXRY-UHFFFAOYSA-N
XLogP-2.63
TPSA97.81 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.26
LogP ≤ 5-2.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-1,3-diazinan-4-yl)oxy]-1,3-diazinan-2-ol?
The IUPAC name of 4-[(2-hydroxy-1,3-diazinan-4-yl)oxy]-1,3-diazinan-2-ol (CID 70584996) is 4-[(2-hydroxy-1,3-diazinan-4-yl)oxy]-1,3-diazinan-2-ol.
What is the SMILES notation for 4-[(2-hydroxy-1,3-diazinan-4-yl)oxy]-1,3-diazinan-2-ol?
The canonical SMILES for 4-[(2-hydroxy-1,3-diazinan-4-yl)oxy]-1,3-diazinan-2-ol is OC1NCCC(OC2CCNC(O)N2)N1.
What is the InChIKey of 4-[(2-hydroxy-1,3-diazinan-4-yl)oxy]-1,3-diazinan-2-ol?
The InChIKey is UOONBSQLWALXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3/c13-7-9-3-1-5(11-7)15-6-2-4-10-8(14)12-6/h5-14H,1-4H2.
What are the key properties of 4-[(2-hydroxy-1,3-diazinan-4-yl)oxy]-1,3-diazinan-2-ol?
4-[(2-hydroxy-1,3-diazinan-4-yl)oxy]-1,3-diazinan-2-ol has a molecular weight of 218.26 g/mol, XLogP of -2.63, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-1,3-diazinan-4-yl)oxy]-1,3-diazinan-2-ol is sourced from PubChem (CID 70584996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).