tri(propan-2-yl)-(1,2,4-triazol-1-ylmethyl)silane

C12H25N3Si — CID 45117658

IUPACtri(propan-2-yl)-(1,2,4-triazol-1-ylmethyl)silane
SMILESCC(C)[Si](Cn1cncn1)(C(C)C)C(C)C
InChIInChI=1S/C12H25N3Si/c1-10(2)16(11(3)4,12(5)6)9-15-8-13-7-14-15/h7-8,10-12H,9H2,1-6H3
InChIKeyJREQOZJWSBSGHX-UHFFFAOYSA-N
MW239.44 g/mol
LogP3.50
Rot. Bonds5

About tri(propan-2-yl)-(1,2,4-triazol-1-ylmethyl)silane

tri(propan-2-yl)-(1,2,4-triazol-1-ylmethyl)silane (PubChem CID 45117658) has the molecular formula C12H25N3Si and a molecular weight of 239.44 g/mol. Its IUPAC name is tri(propan-2-yl)-(1,2,4-triazol-1-ylmethyl)silane.

Molecular Properties

Compound Nametri(propan-2-yl)-(1,2,4-triazol-1-ylmethyl)silane
PubChem CID45117658
Molecular FormulaC12H25N3Si
Molecular Weight239.44 g/mol
Exact Mass239.18
IUPAC Nametri(propan-2-yl)-(1,2,4-triazol-1-ylmethyl)silane
SMILESCC(C)[Si](Cn1cncn1)(C(C)C)C(C)C
InChIInChI=1S/C12H25N3Si/c1-10(2)16(11(3)4,12(5)6)9-15-8-13-7-14-15/h7-8,10-12H,9H2,1-6H3
InChIKeyJREQOZJWSBSGHX-UHFFFAOYSA-N
XLogP3.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.44
LogP ≤ 53.50
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-methyl-5-(tributylstannyl)-1H-1,2,4-triazole
CID 2763253
1-methyl-3-(tributylstannyl)-1H-1,2,4-triazole
CID 165987082
1-(Tributylstannyl)-1H-1,2,4-triazole
CID 305941
(Methyl)(1h1,2,4triazol-1-ylmethyl) silane
CID 21666800
Trimethyl-(2-methyl-1,2,4-triazol-3-yl)silane
CID 102184379
2-tert-Butyldimethylsilyl-3-(tert-butyldimethylsilyl)amino-1,2,4-triazole
CID 91738942
2H-1,2,4-Triazol-3-amine 3BDMS
CID 91744083
1-((2-(Trimethylsilyl)ethoxy)methyl)-1H-1,2,4-triazole
CID 14875421
1-[Bis(trimethylsilyl)methyl]-1,2,4-triazole
CID 13788968
N,N,1-tris(trimethylsilyl)-1,2,4-triazol-3-amine
CID 101484474
1,2-Diaza-4-azanidacyclopenta-2,5-diene;tributylstannanylium
CID 6097359
Ethyl-dimethyl-(1,2,4-triazol-1-ylmethyl)silane
CID 13474606

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-(1,2,4-triazol-1-ylmethyl)silane?
The IUPAC name of tri(propan-2-yl)-(1,2,4-triazol-1-ylmethyl)silane (CID 45117658) is tri(propan-2-yl)-(1,2,4-triazol-1-ylmethyl)silane.
What is the SMILES notation for tri(propan-2-yl)-(1,2,4-triazol-1-ylmethyl)silane?
The canonical SMILES for tri(propan-2-yl)-(1,2,4-triazol-1-ylmethyl)silane is CC(C)[Si](Cn1cncn1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-(1,2,4-triazol-1-ylmethyl)silane?
The InChIKey is JREQOZJWSBSGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3Si/c1-10(2)16(11(3)4,12(5)6)9-15-8-13-7-14-15/h7-8,10-12H,9H2,1-6H3.
What are the key properties of tri(propan-2-yl)-(1,2,4-triazol-1-ylmethyl)silane?
tri(propan-2-yl)-(1,2,4-triazol-1-ylmethyl)silane has a molecular weight of 239.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-(1,2,4-triazol-1-ylmethyl)silane is sourced from PubChem (CID 45117658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).