1,2,4-triazol-1-ylmethylsilane

C3H7N3Si — CID 123456022

IUPAC1,2,4-triazol-1-ylmethylsilane
SMILES[SiH3]Cn1cncn1
InChIInChI=1S/C3H7N3Si/c7-3-6-2-4-1-5-6/h1-2H,3H2,7H3
InChIKeyUSWHRYNGZBMJLT-UHFFFAOYSA-N
MW113.20 g/mol
LogP-1.40
Rot. Bonds1

About 1,2,4-triazol-1-ylmethylsilane

1,2,4-triazol-1-ylmethylsilane (PubChem CID 123456022) has the molecular formula C3H7N3Si and a molecular weight of 113.20 g/mol. Its IUPAC name is 1,2,4-triazol-1-ylmethylsilane.

Molecular Properties

Compound Name1,2,4-triazol-1-ylmethylsilane
PubChem CID123456022
Molecular FormulaC3H7N3Si
Molecular Weight113.20 g/mol
Exact Mass113.04
IUPAC Name1,2,4-triazol-1-ylmethylsilane
SMILES[SiH3]Cn1cncn1
InChIInChI=1S/C3H7N3Si/c7-3-6-2-4-1-5-6/h1-2H,3H2,7H3
InChIKeyUSWHRYNGZBMJLT-UHFFFAOYSA-N
XLogP-1.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 5-1.40
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

1,2,4-triazol-1-ylmethylphosphane
CID 67877171
2-(1,2,4-triazol-1-yl)ethanamine
CID 3039957
1-(2-fluoroethyl)-1,2,4-triazole
CID 18406854
2-(1,2,4-triazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
CID 50987387
N,N-dimethyl-1-(1,2,4-triazol-1-yl)methanamine;vanadium
CID 161276001
1-(oxiren-2-ylmethyl)-1,2,4-triazole
CID 68765220
10-(1,2,4-triazol-1-yl)decan-1-amine
CID 19742667
4-(1,2,4-triazol-1-yl)but-2-yn-1-amine
CID 130118690
1-[[(2S)-oxiran-2-yl]methyl]-1,2,4-triazole
CID 42281468
1-[(2S)-2-methylbutyl]-1,2,4-triazole
CID 89197135
1-[[(2R,3R)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole
CID 54253937
1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 21249467

Frequently Asked Questions

What is the IUPAC name of 1,2,4-triazol-1-ylmethylsilane?
The IUPAC name of 1,2,4-triazol-1-ylmethylsilane (CID 123456022) is 1,2,4-triazol-1-ylmethylsilane.
What is the SMILES notation for 1,2,4-triazol-1-ylmethylsilane?
The canonical SMILES for 1,2,4-triazol-1-ylmethylsilane is [SiH3]Cn1cncn1.
What is the InChIKey of 1,2,4-triazol-1-ylmethylsilane?
The InChIKey is USWHRYNGZBMJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3Si/c7-3-6-2-4-1-5-6/h1-2H,3H2,7H3.
What are the key properties of 1,2,4-triazol-1-ylmethylsilane?
1,2,4-triazol-1-ylmethylsilane has a molecular weight of 113.20 g/mol, XLogP of -1.40, 1 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-ylmethylsilane is sourced from PubChem (CID 123456022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).