disodium;formaldehyde;bis(1,3,5-triazine-2,4,6-triamine);sulfite

C8H16N12Na2O5S — CID 70405297

IUPACdisodium;formaldehyde;bis(1,3,5-triazine-2,4,6-triamine);sulfite
SMILESC=O.C=O.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.O=S([O-])[O-].[Na+].[Na+]
InChIInChI=1S/2C3H6N6.2CH2O.2Na.H2O3S/c2*4-1-7-2(5)9-3(6)8-1;2*1-2;;;1-4(2)3/h2*(H6,4,5,6,7,8,9);2*1H2;;;(H2,1,2,3)/q;;;;2*+1;/p-2
InChIKeyMSNSPPWRLAAJPW-UHFFFAOYSA-L
MW438.34 g/mol
LogP-10.13
Rot. Bonds

About disodium;formaldehyde;bis(1,3,5-triazine-2,4,6-triamine);sulfite

disodium;formaldehyde;bis(1,3,5-triazine-2,4,6-triamine);sulfite (PubChem CID 70405297) has the molecular formula C8H16N12Na2O5S and a molecular weight of 438.34 g/mol. Its IUPAC name is disodium;formaldehyde;bis(1,3,5-triazine-2,4,6-triamine);sulfite.

Molecular Properties

Compound Namedisodium;formaldehyde;bis(1,3,5-triazine-2,4,6-triamine);sulfite
PubChem CID70405297
Molecular FormulaC8H16N12Na2O5S
Molecular Weight438.34 g/mol
Exact Mass438.09
IUPAC Namedisodium;formaldehyde;bis(1,3,5-triazine-2,4,6-triamine);sulfite
SMILESC=O.C=O.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.O=S([O-])[O-].[Na+].[Na+]
InChIInChI=1S/2C3H6N6.2CH2O.2Na.H2O3S/c2*4-1-7-2(5)9-3(6)8-1;2*1-2;;;1-4(2)3/h2*(H6,4,5,6,7,8,9);2*1H2;;;(H2,1,2,3)/q;;;;2*+1;/p-2
InChIKeyMSNSPPWRLAAJPW-UHFFFAOYSA-L
XLogP-10.13
TPSA330.79 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500438.34
LogP ≤ 5-10.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disodium;formaldehyde;bis(1,3,5-triazine-2,4,6-triamine);sulfite?
The IUPAC name of disodium;formaldehyde;bis(1,3,5-triazine-2,4,6-triamine);sulfite (CID 70405297) is disodium;formaldehyde;bis(1,3,5-triazine-2,4,6-triamine);sulfite.
What is the SMILES notation for disodium;formaldehyde;bis(1,3,5-triazine-2,4,6-triamine);sulfite?
The canonical SMILES for disodium;formaldehyde;bis(1,3,5-triazine-2,4,6-triamine);sulfite is C=O.C=O.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.O=S([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;formaldehyde;bis(1,3,5-triazine-2,4,6-triamine);sulfite?
The InChIKey is MSNSPPWRLAAJPW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H6N6.2CH2O.2Na.H2O3S/c2*4-1-7-2(5)9-3(6)8-1;2*1-2;;;1-4(2)3/h2*(H6,4,5,6,7,8,9);2*1H2;;;(H2,1,2,3)/q;;;;2*+1;/p-2.
What are the key properties of disodium;formaldehyde;bis(1,3,5-triazine-2,4,6-triamine);sulfite?
disodium;formaldehyde;bis(1,3,5-triazine-2,4,6-triamine);sulfite has a molecular weight of 438.34 g/mol, XLogP of -10.13, 0 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;formaldehyde;bis(1,3,5-triazine-2,4,6-triamine);sulfite is sourced from PubChem (CID 70405297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).