1,2,4-triazol-1-ylsilane

C2H5N3Si — CID 123696978

IUPAC1,2,4-triazol-1-ylsilane
SMILES[SiH3]n1cncn1
InChIInChI=1S/C2H5N3Si/c6-5-2-3-1-4-5/h1-2H,6H3
InChIKeyHLTXLBJPCKYTQS-UHFFFAOYSA-N
MW99.17 g/mol
LogP-1.59
Rot. Bonds

About 1,2,4-triazol-1-ylsilane

1,2,4-triazol-1-ylsilane (PubChem CID 123696978) has the molecular formula C2H5N3Si and a molecular weight of 99.17 g/mol. Its IUPAC name is 1,2,4-triazol-1-ylsilane.

Molecular Properties

Compound Name1,2,4-triazol-1-ylsilane
PubChem CID123696978
Molecular FormulaC2H5N3Si
Molecular Weight99.17 g/mol
Exact Mass99.03
IUPAC Name1,2,4-triazol-1-ylsilane
SMILES[SiH3]n1cncn1
InChIInChI=1S/C2H5N3Si/c6-5-2-3-1-4-5/h1-2H,6H3
InChIKeyHLTXLBJPCKYTQS-UHFFFAOYSA-N
XLogP-1.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.17
LogP ≤ 5-1.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-1,2,4-triazole
CID 565261
1,2,4-triazol-1-ylmethylsilane
CID 123456022
1,2,4-triazol-1-yltin(3+)
CID 23046012
ethane;1-methyl-1,2,4-triazole
CID 90745402
1,2,4-triazol-1-ylmethylphosphane
CID 67877171
sulfanyl-tris(1,2,4-triazol-1-yl)phosphanium
CID 88575659
cyclopropyl(1,2,4-triazol-1-yl)methanone
CID 14362058
1-(3-methylbutan-2-yl)-1,2,4-triazole
CID 58125125
2-(1,2,4-triazol-1-yl)ethanamine
CID 3039957
1-pyrrolidin-1-yl-1,2,4-triazole
CID 69380848
1-ethenoxy-1,2,4-triazole
CID 150062689
1-(2-fluoroethyl)-1,2,4-triazole
CID 18406854

Frequently Asked Questions

What is the IUPAC name of 1,2,4-triazol-1-ylsilane?
The IUPAC name of 1,2,4-triazol-1-ylsilane (CID 123696978) is 1,2,4-triazol-1-ylsilane.
What is the SMILES notation for 1,2,4-triazol-1-ylsilane?
The canonical SMILES for 1,2,4-triazol-1-ylsilane is [SiH3]n1cncn1.
What is the InChIKey of 1,2,4-triazol-1-ylsilane?
The InChIKey is HLTXLBJPCKYTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3Si/c6-5-2-3-1-4-5/h1-2H,6H3.
What are the key properties of 1,2,4-triazol-1-ylsilane?
1,2,4-triazol-1-ylsilane has a molecular weight of 99.17 g/mol, XLogP of -1.59, 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-ylsilane is sourced from PubChem (CID 123696978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).