(4,6-dimethoxy-1,3,5-triazin-2-yl)chloranium

C5H7ClN3O2+ — CID 156663709

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl)chloranium
SMILESCOc1nc([ClH+])nc(OC)n1
InChIInChI=1S/C5H7ClN3O2/c1-10-4-7-3(6)8-5(9-4)11-2/h6H,1-2H3/q+1
InChIKeyANZLDAHDTFGGDH-UHFFFAOYSA-N
MW176.58 g/mol
LogP-0.41
Rot. Bonds2

About (4,6-dimethoxy-1,3,5-triazin-2-yl)chloranium

(4,6-dimethoxy-1,3,5-triazin-2-yl)chloranium (PubChem CID 156663709) has the molecular formula C5H7ClN3O2+ and a molecular weight of 176.58 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl)chloranium.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl)chloranium
PubChem CID156663709
Molecular FormulaC5H7ClN3O2+
Molecular Weight176.58 g/mol
Exact Mass176.02
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl)chloranium
SMILESCOc1nc([ClH+])nc(OC)n1
InChIInChI=1S/C5H7ClN3O2/c1-10-4-7-3(6)8-5(9-4)11-2/h6H,1-2H3/q+1
InChIKeyANZLDAHDTFGGDH-UHFFFAOYSA-N
XLogP-0.41
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.58
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)chloranium?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)chloranium (CID 156663709) is (4,6-dimethoxy-1,3,5-triazin-2-yl)chloranium.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl)chloranium?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl)chloranium is COc1nc([ClH+])nc(OC)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl)chloranium?
The InChIKey is ANZLDAHDTFGGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN3O2/c1-10-4-7-3(6)8-5(9-4)11-2/h6H,1-2H3/q+1.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl)chloranium?
(4,6-dimethoxy-1,3,5-triazin-2-yl)chloranium has a molecular weight of 176.58 g/mol, XLogP of -0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3,5-triazin-2-yl)chloranium is sourced from PubChem (CID 156663709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).