3-amino-1H-1,2,4-triazole-5-sulfinate

C2H3N4O2S- — CID 57095769

IUPAC3-amino-1H-1,2,4-triazole-5-sulfinate
SMILESNc1n[nH]c(S(=O)[O-])n1
InChIInChI=1S/C2H4N4O2S/c3-1-4-2(6-5-1)9(7)8/h(H,7,8)(H3,3,4,5,6)/p-1
InChIKeyGNNFBOUAZDPEQO-UHFFFAOYSA-M
MW147.14 g/mol
LogP-1.38
Rot. Bonds1

About 3-amino-1H-1,2,4-triazole-5-sulfinate

3-amino-1H-1,2,4-triazole-5-sulfinate (PubChem CID 57095769) has the molecular formula C2H3N4O2S- and a molecular weight of 147.14 g/mol. Its IUPAC name is 3-amino-1H-1,2,4-triazole-5-sulfinate.

Molecular Properties

Compound Name3-amino-1H-1,2,4-triazole-5-sulfinate
PubChem CID57095769
Molecular FormulaC2H3N4O2S-
Molecular Weight147.14 g/mol
Exact Mass147.00
IUPAC Name3-amino-1H-1,2,4-triazole-5-sulfinate
SMILESNc1n[nH]c(S(=O)[O-])n1
InChIInChI=1S/C2H4N4O2S/c3-1-4-2(6-5-1)9(7)8/h(H,7,8)(H3,3,4,5,6)/p-1
InChIKeyGNNFBOUAZDPEQO-UHFFFAOYSA-M
XLogP-1.38
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-amino-1H-1,2,4-triazole-5-sulfinate?
The IUPAC name of 3-amino-1H-1,2,4-triazole-5-sulfinate (CID 57095769) is 3-amino-1H-1,2,4-triazole-5-sulfinate.
What is the SMILES notation for 3-amino-1H-1,2,4-triazole-5-sulfinate?
The canonical SMILES for 3-amino-1H-1,2,4-triazole-5-sulfinate is Nc1n[nH]c(S(=O)[O-])n1.
What is the InChIKey of 3-amino-1H-1,2,4-triazole-5-sulfinate?
The InChIKey is GNNFBOUAZDPEQO-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4N4O2S/c3-1-4-2(6-5-1)9(7)8/h(H,7,8)(H3,3,4,5,6)/p-1.
What are the key properties of 3-amino-1H-1,2,4-triazole-5-sulfinate?
3-amino-1H-1,2,4-triazole-5-sulfinate has a molecular weight of 147.14 g/mol, XLogP of -1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-1,2,4-triazole-5-sulfinate is sourced from PubChem (CID 57095769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).