(4,6-dichloro-1,3,5-triazin-2-yl)methanol

C4H3Cl2N3O — CID 22949789

IUPAC(4,6-dichloro-1,3,5-triazin-2-yl)methanol
SMILESOCc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C4H3Cl2N3O/c5-3-7-2(1-10)8-4(6)9-3/h10H,1H2
InChIKeyQPMJRCAKZNVJQM-UHFFFAOYSA-N
MW179.99 g/mol
LogP0.67
Rot. Bonds1

About (4,6-dichloro-1,3,5-triazin-2-yl)methanol

(4,6-dichloro-1,3,5-triazin-2-yl)methanol (PubChem CID 22949789) has the molecular formula C4H3Cl2N3O and a molecular weight of 179.99 g/mol. Its IUPAC name is (4,6-dichloro-1,3,5-triazin-2-yl)methanol.

Molecular Properties

Compound Name(4,6-dichloro-1,3,5-triazin-2-yl)methanol
PubChem CID22949789
Molecular FormulaC4H3Cl2N3O
Molecular Weight179.99 g/mol
Exact Mass178.97
IUPAC Name(4,6-dichloro-1,3,5-triazin-2-yl)methanol
SMILESOCc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C4H3Cl2N3O/c5-3-7-2(1-10)8-4(6)9-3/h10H,1H2
InChIKeyQPMJRCAKZNVJQM-UHFFFAOYSA-N
XLogP0.67
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.99
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,6-dichloro-1,3,5-triazin-2-yl)methanol?
The IUPAC name of (4,6-dichloro-1,3,5-triazin-2-yl)methanol (CID 22949789) is (4,6-dichloro-1,3,5-triazin-2-yl)methanol.
What is the SMILES notation for (4,6-dichloro-1,3,5-triazin-2-yl)methanol?
The canonical SMILES for (4,6-dichloro-1,3,5-triazin-2-yl)methanol is OCc1nc(Cl)nc(Cl)n1.
What is the InChIKey of (4,6-dichloro-1,3,5-triazin-2-yl)methanol?
The InChIKey is QPMJRCAKZNVJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl2N3O/c5-3-7-2(1-10)8-4(6)9-3/h10H,1H2.
What are the key properties of (4,6-dichloro-1,3,5-triazin-2-yl)methanol?
(4,6-dichloro-1,3,5-triazin-2-yl)methanol has a molecular weight of 179.99 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloro-1,3,5-triazin-2-yl)methanol is sourced from PubChem (CID 22949789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).