[1-benzyl-5-(2-methylphenyl)triazol-4-yl]-tributylstannane

C28H41N3Sn — CID 68990322

IUPAC[1-benzyl-5-(2-methylphenyl)triazol-4-yl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nnn(Cc2ccccc2)c1-c1ccccc1C
InChIInChI=1S/C16H14N3.3C4H9.Sn/c1-13-7-5-6-10-15(13)16-11-17-18-19(16)12-14-8-3-2-4-9-14;3*1-3-4-2;/h2-10H,12H2,1H3;3*1,3-4H2,2H3;
InChIKeyDEKGIJDEBZPRKA-UHFFFAOYSA-N
MW538.37 g/mol
LogP7.36
Rot. Bonds13

About [1-benzyl-5-(2-methylphenyl)triazol-4-yl]-tributylstannane

[1-benzyl-5-(2-methylphenyl)triazol-4-yl]-tributylstannane (PubChem CID 68990322) has the molecular formula C28H41N3Sn and a molecular weight of 538.37 g/mol. Its IUPAC name is [1-benzyl-5-(2-methylphenyl)triazol-4-yl]-tributylstannane.

Molecular Properties

Compound Name[1-benzyl-5-(2-methylphenyl)triazol-4-yl]-tributylstannane
PubChem CID68990322
Molecular FormulaC28H41N3Sn
Molecular Weight538.37 g/mol
Exact Mass539.23
IUPAC Name[1-benzyl-5-(2-methylphenyl)triazol-4-yl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nnn(Cc2ccccc2)c1-c1ccccc1C
InChIInChI=1S/C16H14N3.3C4H9.Sn/c1-13-7-5-6-10-15(13)16-11-17-18-19(16)12-14-8-3-2-4-9-14;3*1-3-4-2;/h2-10H,12H2,1H3;3*1,3-4H2,2H3;
InChIKeyDEKGIJDEBZPRKA-UHFFFAOYSA-N
XLogP7.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.37
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-butyl-5-(2-methylphenyl)triazole
CID 102474944
(1-benzyl-5-phenyltriazol-4-yl)-tributylstannane;tributyl(2-phenylethynyl)stannane
CID 161494023
1-benzyl-5-(2-methylphenyl)-4-phenyltriazole
CID 101446629
1-benzyl-7-(2-methylphenyl)benzotriazole
CID 177481285
1-hexyl-5-(2-methylphenyl)triazole-4-carbaldehyde
CID 82205983
[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyltriazol-4-yl]-tributylstannane
CID 86601250
1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline
CID 102583421
1-benzyl-4-ethyl-5-phenyltriazole
CID 123573557
1-butyl-5-chloro-4-(2-methylphenyl)benzotriazole
CID 70595939
[1-benzyl-5-(2-chlorophenyl)triazol-4-yl]methanamine
CID 82203156
3-[4-[2-(1-benzyltetrazol-5-yl)phenyl]phenyl]-2-butyl-1,3-diazaspiro[4.4]non-1-ene
CID 141396840
1,4-dichloro-5-(2-methylphenyl)triazole
CID 70257618

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-5-(2-methylphenyl)triazol-4-yl]-tributylstannane?
The IUPAC name of [1-benzyl-5-(2-methylphenyl)triazol-4-yl]-tributylstannane (CID 68990322) is [1-benzyl-5-(2-methylphenyl)triazol-4-yl]-tributylstannane.
What is the SMILES notation for [1-benzyl-5-(2-methylphenyl)triazol-4-yl]-tributylstannane?
The canonical SMILES for [1-benzyl-5-(2-methylphenyl)triazol-4-yl]-tributylstannane is CCCC[Sn](CCCC)(CCCC)c1nnn(Cc2ccccc2)c1-c1ccccc1C.
What is the InChIKey of [1-benzyl-5-(2-methylphenyl)triazol-4-yl]-tributylstannane?
The InChIKey is DEKGIJDEBZPRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N3.3C4H9.Sn/c1-13-7-5-6-10-15(13)16-11-17-18-19(16)12-14-8-3-2-4-9-14;3*1-3-4-2;/h2-10H,12H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of [1-benzyl-5-(2-methylphenyl)triazol-4-yl]-tributylstannane?
[1-benzyl-5-(2-methylphenyl)triazol-4-yl]-tributylstannane has a molecular weight of 538.37 g/mol, XLogP of 7.36, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-5-(2-methylphenyl)triazol-4-yl]-tributylstannane is sourced from PubChem (CID 68990322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).