sodium;hydrogen carbonate;1,3,5-triazine-2,4,6-triamine

C4H7N6NaO3 — CID 159248795

IUPACsodium;hydrogen carbonate;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C([O-])O.[Na+]
InChIInChI=1S/C3H6N6.CH2O3.Na/c4-1-7-2(5)9-3(6)8-1;2-1(3)4;/h(H6,4,5,6,7,8,9);(H2,2,3,4);/q;;+1/p-1
InChIKeyKVAFIKFDXQKQKO-UHFFFAOYSA-M
MW210.13 g/mol
LogP-5.49
Rot. Bonds

About sodium;hydrogen carbonate;1,3,5-triazine-2,4,6-triamine

sodium;hydrogen carbonate;1,3,5-triazine-2,4,6-triamine (PubChem CID 159248795) has the molecular formula C4H7N6NaO3 and a molecular weight of 210.13 g/mol. Its IUPAC name is sodium;hydrogen carbonate;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namesodium;hydrogen carbonate;1,3,5-triazine-2,4,6-triamine
PubChem CID159248795
Molecular FormulaC4H7N6NaO3
Molecular Weight210.13 g/mol
Exact Mass210.05
IUPAC Namesodium;hydrogen carbonate;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C([O-])O.[Na+]
InChIInChI=1S/C3H6N6.CH2O3.Na/c4-1-7-2(5)9-3(6)8-1;2-1(3)4;/h(H6,4,5,6,7,8,9);(H2,2,3,4);/q;;+1/p-1
InChIKeyKVAFIKFDXQKQKO-UHFFFAOYSA-M
XLogP-5.49
TPSA177.09 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 5-5.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of sodium;hydrogen carbonate;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of sodium;hydrogen carbonate;1,3,5-triazine-2,4,6-triamine (CID 159248795) is sodium;hydrogen carbonate;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for sodium;hydrogen carbonate;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for sodium;hydrogen carbonate;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.O=C([O-])O.[Na+].
What is the InChIKey of sodium;hydrogen carbonate;1,3,5-triazine-2,4,6-triamine?
The InChIKey is KVAFIKFDXQKQKO-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6N6.CH2O3.Na/c4-1-7-2(5)9-3(6)8-1;2-1(3)4;/h(H6,4,5,6,7,8,9);(H2,2,3,4);/q;;+1/p-1.
What are the key properties of sodium;hydrogen carbonate;1,3,5-triazine-2,4,6-triamine?
sodium;hydrogen carbonate;1,3,5-triazine-2,4,6-triamine has a molecular weight of 210.13 g/mol, XLogP of -5.49, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydrogen carbonate;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 159248795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).