[1-(4-chloro-2-nitrophenyl)triazol-4-yl]-trimethylsilane

C11H13ClN4O2Si — CID 162758143

IUPAC[1-(4-chloro-2-nitrophenyl)triazol-4-yl]-trimethylsilane
SMILESC[Si](C)(C)c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1
InChIInChI=1S/C11H13ClN4O2Si/c1-19(2,3)11-7-15(14-13-11)9-5-4-8(12)6-10(9)16(17)18/h4-7H,1-3H3
InChIKeyGUYOLMBDDFONJW-UHFFFAOYSA-N
MW296.79 g/mol
LogP2.37
Rot. Bonds3

About [1-(4-chloro-2-nitrophenyl)triazol-4-yl]-trimethylsilane

[1-(4-chloro-2-nitrophenyl)triazol-4-yl]-trimethylsilane (PubChem CID 162758143) has the molecular formula C11H13ClN4O2Si and a molecular weight of 296.79 g/mol. Its IUPAC name is [1-(4-chloro-2-nitrophenyl)triazol-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[1-(4-chloro-2-nitrophenyl)triazol-4-yl]-trimethylsilane
PubChem CID162758143
Molecular FormulaC11H13ClN4O2Si
Molecular Weight296.79 g/mol
Exact Mass296.05
IUPAC Name[1-(4-chloro-2-nitrophenyl)triazol-4-yl]-trimethylsilane
SMILESC[Si](C)(C)c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1
InChIInChI=1S/C11H13ClN4O2Si/c1-19(2,3)11-7-15(14-13-11)9-5-4-8(12)6-10(9)16(17)18/h4-7H,1-3H3
InChIKeyGUYOLMBDDFONJW-UHFFFAOYSA-N
XLogP2.37
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-chloro-2-nitrophenyl)triazol-4-yl]ethanol
CID 81444368
4-(1-bromoethyl)-1-(4-chloro-2-nitrophenyl)triazole
CID 81444786
[1-(4-chloro-2-nitrophenyl)triazol-4-yl]methanol
CID 62400515
2-[1-(5-chloro-2-nitrophenyl)triazol-4-yl]propan-2-amine
CID 63997912
2-[5-chloro-2-(4-trimethylsilyltriazol-1-yl)phenyl]-3-methyl-1H-pyridin-4-one
CID 175952460
4-(chloromethyl)-1-(4-fluoro-2-nitrophenyl)triazole
CID 55066901
1,4-bis(4-chloro-2-nitrophenyl)piperazine
CID 3930844
4-(1-chloroethyl)-1-(4-methoxy-2-nitrophenyl)triazole
CID 81444524
1-[1-(5-chloro-2-nitrophenyl)triazol-4-yl]propan-1-amine
CID 106226959
1-(4-chloro-2-nitrophenyl)-5-methyltriazole-4-carboxylic acid
CID 43381138
[1-(4-methyl-2-nitrophenyl)triazol-4-yl]methanamine
CID 62055823
4-[(4-chloro-2-nitrophenoxy)methyl]-1-(2-chlorophenyl)triazole
CID 141447831

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-nitrophenyl)triazol-4-yl]-trimethylsilane?
The IUPAC name of [1-(4-chloro-2-nitrophenyl)triazol-4-yl]-trimethylsilane (CID 162758143) is [1-(4-chloro-2-nitrophenyl)triazol-4-yl]-trimethylsilane.
What is the SMILES notation for [1-(4-chloro-2-nitrophenyl)triazol-4-yl]-trimethylsilane?
The canonical SMILES for [1-(4-chloro-2-nitrophenyl)triazol-4-yl]-trimethylsilane is C[Si](C)(C)c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1.
What is the InChIKey of [1-(4-chloro-2-nitrophenyl)triazol-4-yl]-trimethylsilane?
The InChIKey is GUYOLMBDDFONJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2Si/c1-19(2,3)11-7-15(14-13-11)9-5-4-8(12)6-10(9)16(17)18/h4-7H,1-3H3.
What are the key properties of [1-(4-chloro-2-nitrophenyl)triazol-4-yl]-trimethylsilane?
[1-(4-chloro-2-nitrophenyl)triazol-4-yl]-trimethylsilane has a molecular weight of 296.79 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2-nitrophenyl)triazol-4-yl]-trimethylsilane is sourced from PubChem (CID 162758143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).