4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinic acid

C4H6N6O2S — CID 56630132

IUPAC4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinic acid
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)
InChIKeyRSWMIPZFTJASFI-UHFFFAOYSA-N
MW202.20 g/mol
LogP-1.64
Rot. Bonds2

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

4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinic acid (PubChem CID 56630132) has the molecular formula C4H6N6O2S and a molecular weight of 202.20 g/mol. Its IUPAC name is 4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinic acid.

Molecular Properties

Compound Name4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinic acid
PubChem CID56630132
Molecular FormulaC4H6N6O2S
Molecular Weight202.20 g/mol
Exact Mass202.03
IUPAC Name4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinic acid
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)
InChIKeyRSWMIPZFTJASFI-UHFFFAOYSA-N
XLogP-1.64
TPSA140.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinic acid?
The IUPAC name of 4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinic acid (CID 56630132) is 4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinic acid.
What is the SMILES notation for 4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinic acid?
The canonical SMILES for 4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinic acid is NC(N)=Nc1ncnc(S(=O)O)n1.
What is the InChIKey of 4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinic acid?
The InChIKey is RSWMIPZFTJASFI-UHFFFAOYSA-N. 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).
What are the key properties of 4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinic acid?
4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinic acid has a molecular weight of 202.20 g/mol, XLogP of -1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diaminomethylideneamino)-1,3,5-triazine-2-sulfinic acid is sourced from PubChem (CID 56630132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).