carboxy-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid

C7H8N4O6 — CID 68787807

IUPACcarboxy-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid
SMILESCOc1nc(OC)nc(N(C(=O)O)C(=O)O)n1
InChIInChI=1S/C7H8N4O6/c1-16-4-8-3(9-5(10-4)17-2)11(6(12)13)7(14)15/h1-2H3,(H,12,13)(H,14,15)
InChIKeyXCEZDPSLUJKWKO-UHFFFAOYSA-N
MW244.16 g/mol
LogP0.05
Rot. Bonds3

About carboxy-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid

carboxy-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid (PubChem CID 68787807) has the molecular formula C7H8N4O6 and a molecular weight of 244.16 g/mol. Its IUPAC name is carboxy-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid.

Molecular Properties

Compound Namecarboxy-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid
PubChem CID68787807
Molecular FormulaC7H8N4O6
Molecular Weight244.16 g/mol
Exact Mass244.04
IUPAC Namecarboxy-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid
SMILESCOc1nc(OC)nc(N(C(=O)O)C(=O)O)n1
InChIInChI=1S/C7H8N4O6/c1-16-4-8-3(9-5(10-4)17-2)11(6(12)13)7(14)15/h1-2H3,(H,12,13)(H,14,15)
InChIKeyXCEZDPSLUJKWKO-UHFFFAOYSA-N
XLogP0.05
TPSA134.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of carboxy-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid?
The IUPAC name of carboxy-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid (CID 68787807) is carboxy-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid.
What is the SMILES notation for carboxy-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid?
The canonical SMILES for carboxy-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid is COc1nc(OC)nc(N(C(=O)O)C(=O)O)n1.
What is the InChIKey of carboxy-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid?
The InChIKey is XCEZDPSLUJKWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O6/c1-16-4-8-3(9-5(10-4)17-2)11(6(12)13)7(14)15/h1-2H3,(H,12,13)(H,14,15).
What are the key properties of carboxy-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid?
carboxy-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid has a molecular weight of 244.16 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid is sourced from PubChem (CID 68787807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).