1,2,4-triazol-1-yltin(3+)

C2H2N3Sn+3 — CID 23046012

IUPAC1,2,4-triazol-1-yltin(3+)
SMILES[Sn+3]n1cncn1
InChIInChI=1S/C2H2N3.Sn/c1-3-2-5-4-1;/h1-2H;/q-1;+4
InChIKeyTYMXDTILWVBKON-UHFFFAOYSA-N
MW186.77 g/mol
LogP-0.79
Rot. Bonds

About 1,2,4-triazol-1-yltin(3+)

1,2,4-triazol-1-yltin(3+) (PubChem CID 23046012) has the molecular formula C2H2N3Sn+3 and a molecular weight of 186.77 g/mol. Its IUPAC name is 1,2,4-triazol-1-yltin(3+).

Molecular Properties

Compound Name1,2,4-triazol-1-yltin(3+)
PubChem CID23046012
Molecular FormulaC2H2N3Sn+3
Molecular Weight186.77 g/mol
Exact Mass187.93
IUPAC Name1,2,4-triazol-1-yltin(3+)
SMILES[Sn+3]n1cncn1
InChIInChI=1S/C2H2N3.Sn/c1-3-2-5-4-1;/h1-2H;/q-1;+4
InChIKeyTYMXDTILWVBKON-UHFFFAOYSA-N
XLogP-0.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.77
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,4-triazol-1-ylsilane
CID 123696978
ethane;1-methyl-1,2,4-triazole
CID 90745402
1-ethenyl-1,2,4-triazole
CID 565261
sulfanyl-tris(1,2,4-triazol-1-yl)phosphanium
CID 88575659
1,2,4-triazol-1-ylmethylphosphane
CID 67877171
1,2,4-triazol-1-ylmethylsilane
CID 123456022
1-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)ethanone
CID 12760574
1-(2-fluoroethyl)-1,2,4-triazole
CID 18406854
1-pyrrolidin-1-yl-1,2,4-triazole
CID 69380848
1-ethenoxy-1,2,4-triazole
CID 150062689
1-(3-methylbutan-2-yl)-1,2,4-triazole
CID 58125125
2-(1,2,4-triazol-1-yl)ethanamine
CID 3039957

Frequently Asked Questions

What is the IUPAC name of 1,2,4-triazol-1-yltin(3+)?
The IUPAC name of 1,2,4-triazol-1-yltin(3+) (CID 23046012) is 1,2,4-triazol-1-yltin(3+).
What is the SMILES notation for 1,2,4-triazol-1-yltin(3+)?
The canonical SMILES for 1,2,4-triazol-1-yltin(3+) is [Sn+3]n1cncn1.
What is the InChIKey of 1,2,4-triazol-1-yltin(3+)?
The InChIKey is TYMXDTILWVBKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N3.Sn/c1-3-2-5-4-1;/h1-2H;/q-1;+4.
What are the key properties of 1,2,4-triazol-1-yltin(3+)?
1,2,4-triazol-1-yltin(3+) has a molecular weight of 186.77 g/mol, XLogP of -0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-triazol-1-yltin(3+) is sourced from PubChem (CID 23046012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).