(7S,8R)-5,6,7,8-tetrahydroquinazoline-7,8-diol

C8H10N2O2 — CID 134912762

IUPAC(7S,8R)-5,6,7,8-tetrahydroquinazoline-7,8-diol
SMILESO[C@@H]1c2ncncc2CC[C@@H]1O
InChIInChI=1S/C8H10N2O2/c11-6-2-1-5-3-9-4-10-7(5)8(6)12/h3-4,6,8,11-12H,1-2H2/t6-,8-/m0/s1
InChIKeyRYZNGFQUBXIEBA-XPUUQOCRSA-N
MW166.18 g/mol
LogP-0.18
Rot. Bonds

About (7S,8R)-5,6,7,8-tetrahydroquinazoline-7,8-diol

(7S,8R)-5,6,7,8-tetrahydroquinazoline-7,8-diol (PubChem CID 134912762) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (7S,8R)-5,6,7,8-tetrahydroquinazoline-7,8-diol.

Molecular Properties

Compound Name(7S,8R)-5,6,7,8-tetrahydroquinazoline-7,8-diol
PubChem CID134912762
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(7S,8R)-5,6,7,8-tetrahydroquinazoline-7,8-diol
SMILESO[C@@H]1c2ncncc2CC[C@@H]1O
InChIInChI=1S/C8H10N2O2/c11-6-2-1-5-3-9-4-10-7(5)8(6)12/h3-4,6,8,11-12H,1-2H2/t6-,8-/m0/s1
InChIKeyRYZNGFQUBXIEBA-XPUUQOCRSA-N
XLogP-0.18
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S,8R)-5,6,7,8-tetrahydroquinazoline-7,8-diol?
The IUPAC name of (7S,8R)-5,6,7,8-tetrahydroquinazoline-7,8-diol (CID 134912762) is (7S,8R)-5,6,7,8-tetrahydroquinazoline-7,8-diol.
What is the SMILES notation for (7S,8R)-5,6,7,8-tetrahydroquinazoline-7,8-diol?
The canonical SMILES for (7S,8R)-5,6,7,8-tetrahydroquinazoline-7,8-diol is O[C@@H]1c2ncncc2CC[C@@H]1O.
What is the InChIKey of (7S,8R)-5,6,7,8-tetrahydroquinazoline-7,8-diol?
The InChIKey is RYZNGFQUBXIEBA-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-6-2-1-5-3-9-4-10-7(5)8(6)12/h3-4,6,8,11-12H,1-2H2/t6-,8-/m0/s1.
What are the key properties of (7S,8R)-5,6,7,8-tetrahydroquinazoline-7,8-diol?
(7S,8R)-5,6,7,8-tetrahydroquinazoline-7,8-diol has a molecular weight of 166.18 g/mol, XLogP of -0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-5,6,7,8-tetrahydroquinazoline-7,8-diol is sourced from PubChem (CID 134912762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).