4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinate

C4H5N6O2S- — CID 56630131

IUPAC4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinate
SMILESNC(N)=Nc1ncnc(S(=O)[O-])n1
InChIInChI=1S/C4H6N6O2S/c5-2(6)9-3-7-1-8-4(10-3)13(11)12/h1H,(H,11,12)(H4,5,6,7,8,9,10)/p-1
InChIKeyRSWMIPZFTJASFI-UHFFFAOYSA-M
MW201.19 g/mol
LogP-1.99
Rot. Bonds2

About 4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinate

4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinate (PubChem CID 56630131) has the molecular formula C4H5N6O2S- and a molecular weight of 201.19 g/mol. Its IUPAC name is 4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinate.

Molecular Properties

Compound Name4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinate
PubChem CID56630131
Molecular FormulaC4H5N6O2S-
Molecular Weight201.19 g/mol
Exact Mass201.02
IUPAC Name4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinate
SMILESNC(N)=Nc1ncnc(S(=O)[O-])n1
InChIInChI=1S/C4H6N6O2S/c5-2(6)9-3-7-1-8-4(10-3)13(11)12/h1H,(H,11,12)(H4,5,6,7,8,9,10)/p-1
InChIKeyRSWMIPZFTJASFI-UHFFFAOYSA-M
XLogP-1.99
TPSA143.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 5-1.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinate?
The IUPAC name of 4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinate (CID 56630131) is 4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinate.
What is the SMILES notation for 4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinate?
The canonical SMILES for 4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinate is NC(N)=Nc1ncnc(S(=O)[O-])n1.
What is the InChIKey of 4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinate?
The InChIKey is RSWMIPZFTJASFI-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6N6O2S/c5-2(6)9-3-7-1-8-4(10-3)13(11)12/h1H,(H,11,12)(H4,5,6,7,8,9,10)/p-1.
What are the key properties of 4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinate?
4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinate has a molecular weight of 201.19 g/mol, XLogP of -1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinate is sourced from PubChem (CID 56630131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).