tris(4-methylphenyl)stannyl 2-(2H-tetrazol-5-yl)acetate

C24H24N4O2Sn — CID 141207083

IUPACtris(4-methylphenyl)stannyl 2-(2H-tetrazol-5-yl)acetate
SMILESCc1ccc([Sn](OC(=O)Cc2nn[nH]n2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/3C7H7.C3H4N4O2.Sn/c3*1-7-5-3-2-4-6-7;8-3(9)1-2-4-6-7-5-2;/h3*3-6H,1H3;1H2,(H,8,9)(H,4,5,6,7);/q;;;;+1/p-1
InChIKeyNMCYJAGXXNMMOF-UHFFFAOYSA-M
MW519.19 g/mol
LogP1.88
Rot. Bonds6

About tris(4-methylphenyl)stannyl 2-(2H-tetrazol-5-yl)acetate

tris(4-methylphenyl)stannyl 2-(2H-tetrazol-5-yl)acetate (PubChem CID 141207083) has the molecular formula C24H24N4O2Sn and a molecular weight of 519.19 g/mol. Its IUPAC name is tris(4-methylphenyl)stannyl 2-(2H-tetrazol-5-yl)acetate.

Molecular Properties

Compound Nametris(4-methylphenyl)stannyl 2-(2H-tetrazol-5-yl)acetate
PubChem CID141207083
Molecular FormulaC24H24N4O2Sn
Molecular Weight519.19 g/mol
Exact Mass520.09
IUPAC Nametris(4-methylphenyl)stannyl 2-(2H-tetrazol-5-yl)acetate
SMILESCc1ccc([Sn](OC(=O)Cc2nn[nH]n2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/3C7H7.C3H4N4O2.Sn/c3*1-7-5-3-2-4-6-7;8-3(9)1-2-4-6-7-5-2;/h3*3-6H,1H3;1H2,(H,8,9)(H,4,5,6,7);/q;;;;+1/p-1
InChIKeyNMCYJAGXXNMMOF-UHFFFAOYSA-M
XLogP1.88
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-2-propan-2-ylphenyl) 2-(2H-tetrazol-5-yl)acetate
CID 142678181
ethane;1-(2H-tetrazol-5-yl)propan-2-one
CID 156809476
1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one
CID 175092025
lanthanum;tris(2-(2H-tetrazol-5-yl)acetic acid)
CID 156633731
hydron;2-(2H-tetrazol-5-yl)acetic acid
CID 174732621
iron;2-(2H-tetrazol-5-yl)acetic acid;zinc
CID 175714955
1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone
CID 902451
N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499379
2-(4-methylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720232
N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499439
N-(3-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499525
acetylene;4-methylpyridine;propane;3-(2H-tetrazol-5-yl)propanoic acid
CID 144957779

Frequently Asked Questions

What is the IUPAC name of tris(4-methylphenyl)stannyl 2-(2H-tetrazol-5-yl)acetate?
The IUPAC name of tris(4-methylphenyl)stannyl 2-(2H-tetrazol-5-yl)acetate (CID 141207083) is tris(4-methylphenyl)stannyl 2-(2H-tetrazol-5-yl)acetate.
What is the SMILES notation for tris(4-methylphenyl)stannyl 2-(2H-tetrazol-5-yl)acetate?
The canonical SMILES for tris(4-methylphenyl)stannyl 2-(2H-tetrazol-5-yl)acetate is Cc1ccc([Sn](OC(=O)Cc2nn[nH]n2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of tris(4-methylphenyl)stannyl 2-(2H-tetrazol-5-yl)acetate?
The InChIKey is NMCYJAGXXNMMOF-UHFFFAOYSA-M. The full InChI is InChI=1S/3C7H7.C3H4N4O2.Sn/c3*1-7-5-3-2-4-6-7;8-3(9)1-2-4-6-7-5-2;/h3*3-6H,1H3;1H2,(H,8,9)(H,4,5,6,7);/q;;;;+1/p-1.
What are the key properties of tris(4-methylphenyl)stannyl 2-(2H-tetrazol-5-yl)acetate?
tris(4-methylphenyl)stannyl 2-(2H-tetrazol-5-yl)acetate has a molecular weight of 519.19 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methylphenyl)stannyl 2-(2H-tetrazol-5-yl)acetate is sourced from PubChem (CID 141207083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).