2-(4-methyl-5-trimethylsilyltriazol-1-yl)acetic acid

C8H15N3O2Si — CID 69081936

IUPAC2-(4-methyl-5-trimethylsilyltriazol-1-yl)acetic acid
SMILESCc1nnn(CC(=O)O)c1[Si](C)(C)C
InChIInChI=1S/C8H15N3O2Si/c1-6-8(14(2,3)4)11(10-9-6)5-7(12)13/h5H2,1-4H3,(H,12,13)
InChIKeyGFONZMAUBFQIRP-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.22
Rot. Bonds3

About 2-(4-methyl-5-trimethylsilyltriazol-1-yl)acetic acid

2-(4-methyl-5-trimethylsilyltriazol-1-yl)acetic acid (PubChem CID 69081936) has the molecular formula C8H15N3O2Si and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-(4-methyl-5-trimethylsilyltriazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-5-trimethylsilyltriazol-1-yl)acetic acid
PubChem CID69081936
Molecular FormulaC8H15N3O2Si
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-(4-methyl-5-trimethylsilyltriazol-1-yl)acetic acid
SMILESCc1nnn(CC(=O)O)c1[Si](C)(C)C
InChIInChI=1S/C8H15N3O2Si/c1-6-8(14(2,3)4)11(10-9-6)5-7(12)13/h5H2,1-4H3,(H,12,13)
InChIKeyGFONZMAUBFQIRP-UHFFFAOYSA-N
XLogP0.22
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxycarbonyl-5-methyltriazol-1-yl)acetic acid
CID 82222614
2-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]acetic acid
CID 66042566
2-(5-methylpyrazol-1-yl)acetic acid
CID 7018400
2-[4,5-bis(chloromethyl)triazol-1-yl]acetic acid
CID 126666316
1-(carboxymethyl)-5-(4-methylphenyl)triazole-4-carboxylic acid
CID 82202327
2-[5-[1-(diethylamino)tetrazol-5-yl]tetrazol-1-yl]acetic acid
CID 139677736
2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid
CID 66008884
2-(5-methylsulfanyltetrazol-1-yl)acetic acid
CID 20670743
1-(carboxymethyl)-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 82202252
2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid
CID 135761962
1-(carboxymethyl)-5-pentan-3-yltriazole-4-carboxylic acid
CID 82202226
2-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]acetic acid
CID 19427362

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-trimethylsilyltriazol-1-yl)acetic acid?
The IUPAC name of 2-(4-methyl-5-trimethylsilyltriazol-1-yl)acetic acid (CID 69081936) is 2-(4-methyl-5-trimethylsilyltriazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-5-trimethylsilyltriazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-5-trimethylsilyltriazol-1-yl)acetic acid is Cc1nnn(CC(=O)O)c1[Si](C)(C)C.
What is the InChIKey of 2-(4-methyl-5-trimethylsilyltriazol-1-yl)acetic acid?
The InChIKey is GFONZMAUBFQIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2Si/c1-6-8(14(2,3)4)11(10-9-6)5-7(12)13/h5H2,1-4H3,(H,12,13).
What are the key properties of 2-(4-methyl-5-trimethylsilyltriazol-1-yl)acetic acid?
2-(4-methyl-5-trimethylsilyltriazol-1-yl)acetic acid has a molecular weight of 213.31 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-trimethylsilyltriazol-1-yl)acetic acid is sourced from PubChem (CID 69081936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).