5-methyl-3-(sulfinatoamino)-1H-1,2,4-triazole

C3H5N4O2S- — CID 89349039

IUPAC5-methyl-3-(sulfinatoamino)-1H-1,2,4-triazole
SMILESCc1nc(NS(=O)[O-])n[nH]1
InChIInChI=1S/C3H6N4O2S/c1-2-4-3(6-5-2)7-10(8)9/h1H3,(H,8,9)(H2,4,5,6,7)/p-1
InChIKeyRDISDGMPRXZZIK-UHFFFAOYSA-M
MW161.17 g/mol
LogP-0.68
Rot. Bonds2

About 5-methyl-3-(sulfinatoamino)-1H-1,2,4-triazole

5-methyl-3-(sulfinatoamino)-1H-1,2,4-triazole (PubChem CID 89349039) has the molecular formula C3H5N4O2S- and a molecular weight of 161.17 g/mol. Its IUPAC name is 5-methyl-3-(sulfinatoamino)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-(sulfinatoamino)-1H-1,2,4-triazole
PubChem CID89349039
Molecular FormulaC3H5N4O2S-
Molecular Weight161.17 g/mol
Exact Mass161.01
IUPAC Name5-methyl-3-(sulfinatoamino)-1H-1,2,4-triazole
SMILESCc1nc(NS(=O)[O-])n[nH]1
InChIInChI=1S/C3H6N4O2S/c1-2-4-3(6-5-2)7-10(8)9/h1H3,(H,8,9)(H2,4,5,6,7)/p-1
InChIKeyRDISDGMPRXZZIK-UHFFFAOYSA-M
XLogP-0.68
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-methyl-3-(sulfinatoamino)-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-(sulfinatoamino)-1H-1,2,4-triazole (CID 89349039) is 5-methyl-3-(sulfinatoamino)-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-(sulfinatoamino)-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-(sulfinatoamino)-1H-1,2,4-triazole is Cc1nc(NS(=O)[O-])n[nH]1.
What is the InChIKey of 5-methyl-3-(sulfinatoamino)-1H-1,2,4-triazole?
The InChIKey is RDISDGMPRXZZIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6N4O2S/c1-2-4-3(6-5-2)7-10(8)9/h1H3,(H,8,9)(H2,4,5,6,7)/p-1.
What are the key properties of 5-methyl-3-(sulfinatoamino)-1H-1,2,4-triazole?
5-methyl-3-(sulfinatoamino)-1H-1,2,4-triazole has a molecular weight of 161.17 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(sulfinatoamino)-1H-1,2,4-triazole is sourced from PubChem (CID 89349039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).