carbonic acid;1,3,5-triazine

C6H9N3O9 — CID 68533154

IUPACcarbonic acid;1,3,5-triazine
SMILESO=C(O)O.O=C(O)O.O=C(O)O.c1ncncn1
InChIInChI=1S/C3H3N3.3CH2O3/c1-4-2-6-3-5-1;3*2-1(3)4/h1-3H;3*(H2,2,3,4)
InChIKeyUIDWVLMEOSFCNZ-UHFFFAOYSA-N
MW267.15 g/mol
LogP0.54
Rot. Bonds

About carbonic acid;1,3,5-triazine

carbonic acid;1,3,5-triazine (PubChem CID 68533154) has the molecular formula C6H9N3O9 and a molecular weight of 267.15 g/mol. Its IUPAC name is carbonic acid;1,3,5-triazine.

Molecular Properties

Compound Namecarbonic acid;1,3,5-triazine
PubChem CID68533154
Molecular FormulaC6H9N3O9
Molecular Weight267.15 g/mol
Exact Mass267.03
IUPAC Namecarbonic acid;1,3,5-triazine
SMILESO=C(O)O.O=C(O)O.O=C(O)O.c1ncncn1
InChIInChI=1S/C3H3N3.3CH2O3/c1-4-2-6-3-5-1;3*2-1(3)4/h1-3H;3*(H2,2,3,4)
InChIKeyUIDWVLMEOSFCNZ-UHFFFAOYSA-N
XLogP0.54
TPSA211.26 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.15
LogP ≤ 50.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;1,3,5-triazine?
The IUPAC name of carbonic acid;1,3,5-triazine (CID 68533154) is carbonic acid;1,3,5-triazine.
What is the SMILES notation for carbonic acid;1,3,5-triazine?
The canonical SMILES for carbonic acid;1,3,5-triazine is O=C(O)O.O=C(O)O.O=C(O)O.c1ncncn1.
What is the InChIKey of carbonic acid;1,3,5-triazine?
The InChIKey is UIDWVLMEOSFCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.3CH2O3/c1-4-2-6-3-5-1;3*2-1(3)4/h1-3H;3*(H2,2,3,4).
What are the key properties of carbonic acid;1,3,5-triazine?
carbonic acid;1,3,5-triazine has a molecular weight of 267.15 g/mol, XLogP of 0.54, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1,3,5-triazine is sourced from PubChem (CID 68533154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).