5-methyl-1,3-diazinane-2,4-diol

C5H12N2O2 — CID 5247804

IUPAC5-methyl-1,3-diazinane-2,4-diol
SMILESCC1CNC(O)NC1O
InChIInChI=1S/C5H12N2O2/c1-3-2-6-5(9)7-4(3)8/h3-9H,2H2,1H3
InChIKeyCAFYZJKSBAQKTJ-UHFFFAOYSA-N
MW132.16 g/mol
LogP-1.59
Rot. Bonds

About 5-methyl-1,3-diazinane-2,4-diol

5-methyl-1,3-diazinane-2,4-diol (PubChem CID 5247804) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 5-methyl-1,3-diazinane-2,4-diol.

Molecular Properties

Compound Name5-methyl-1,3-diazinane-2,4-diol
PubChem CID5247804
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name5-methyl-1,3-diazinane-2,4-diol
SMILESCC1CNC(O)NC1O
InChIInChI=1S/C5H12N2O2/c1-3-2-6-5(9)7-4(3)8/h3-9H,2H2,1H3
InChIKeyCAFYZJKSBAQKTJ-UHFFFAOYSA-N
XLogP-1.59
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-diazinane-2,4-diol?
The IUPAC name of 5-methyl-1,3-diazinane-2,4-diol (CID 5247804) is 5-methyl-1,3-diazinane-2,4-diol.
What is the SMILES notation for 5-methyl-1,3-diazinane-2,4-diol?
The canonical SMILES for 5-methyl-1,3-diazinane-2,4-diol is CC1CNC(O)NC1O.
What is the InChIKey of 5-methyl-1,3-diazinane-2,4-diol?
The InChIKey is CAFYZJKSBAQKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-3-2-6-5(9)7-4(3)8/h3-9H,2H2,1H3.
What are the key properties of 5-methyl-1,3-diazinane-2,4-diol?
5-methyl-1,3-diazinane-2,4-diol has a molecular weight of 132.16 g/mol, XLogP of -1.59, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-diazinane-2,4-diol is sourced from PubChem (CID 5247804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).