sulfurous acid;triazine-4,5,6-triamine

C3H8N6O3S — CID 69383519

IUPACsulfurous acid;triazine-4,5,6-triamine
SMILESNc1nnnc(N)c1N.O=S(O)O
InChIInChI=1S/C3H6N6.H2O3S/c4-1-2(5)7-9-8-3(1)6;1-4(2)3/h(H2,4,9)(H4,5,6,7,8);(H2,1,2,3)
InChIKeyNANMNQSKDOVGDY-UHFFFAOYSA-N
MW208.20 g/mol
LogP-1.70
Rot. Bonds

About sulfurous acid;triazine-4,5,6-triamine

sulfurous acid;triazine-4,5,6-triamine (PubChem CID 69383519) has the molecular formula C3H8N6O3S and a molecular weight of 208.20 g/mol. Its IUPAC name is sulfurous acid;triazine-4,5,6-triamine.

Molecular Properties

Compound Namesulfurous acid;triazine-4,5,6-triamine
PubChem CID69383519
Molecular FormulaC3H8N6O3S
Molecular Weight208.20 g/mol
Exact Mass208.04
IUPAC Namesulfurous acid;triazine-4,5,6-triamine
SMILESNc1nnnc(N)c1N.O=S(O)O
InChIInChI=1S/C3H6N6.H2O3S/c4-1-2(5)7-9-8-3(1)6;1-4(2)3/h(H2,4,9)(H4,5,6,7,8);(H2,1,2,3)
InChIKeyNANMNQSKDOVGDY-UHFFFAOYSA-N
XLogP-1.70
TPSA174.26 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 5-1.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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 sulfurous acid;triazine-4,5,6-triamine?
The IUPAC name of sulfurous acid;triazine-4,5,6-triamine (CID 69383519) is sulfurous acid;triazine-4,5,6-triamine.
What is the SMILES notation for sulfurous acid;triazine-4,5,6-triamine?
The canonical SMILES for sulfurous acid;triazine-4,5,6-triamine is Nc1nnnc(N)c1N.O=S(O)O.
What is the InChIKey of sulfurous acid;triazine-4,5,6-triamine?
The InChIKey is NANMNQSKDOVGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.H2O3S/c4-1-2(5)7-9-8-3(1)6;1-4(2)3/h(H2,4,9)(H4,5,6,7,8);(H2,1,2,3).
What are the key properties of sulfurous acid;triazine-4,5,6-triamine?
sulfurous acid;triazine-4,5,6-triamine has a molecular weight of 208.20 g/mol, XLogP of -1.70, 0 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sulfurous acid;triazine-4,5,6-triamine is sourced from PubChem (CID 69383519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).