5-butylnonan-5-yl-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]tin

C22H34ClN3Sn — CID 141123144

IUPAC5-butylnonan-5-yl-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1nnn(-c2ccccc2Cl)c1C
InChIInChI=1S/C13H27.C9H7ClN3.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-7-6-11-12-13(7)9-5-3-2-4-8(9)10;/h4-12H2,1-3H3;2-5H,1H3;
InChIKeyQAGSVYQASOBOHO-UHFFFAOYSA-N
MW494.70 g/mol
LogP6.29
Rot. Bonds12

About 5-butylnonan-5-yl-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]tin

5-butylnonan-5-yl-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]tin (PubChem CID 141123144) has the molecular formula C22H34ClN3Sn and a molecular weight of 494.70 g/mol. Its IUPAC name is 5-butylnonan-5-yl-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]tin
PubChem CID141123144
Molecular FormulaC22H34ClN3Sn
Molecular Weight494.70 g/mol
Exact Mass495.15
IUPAC Name5-butylnonan-5-yl-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1nnn(-c2ccccc2Cl)c1C
InChIInChI=1S/C13H27.C9H7ClN3.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-7-6-11-12-13(7)9-5-3-2-4-8(9)10;/h4-12H2,1-3H3;2-5H,1H3;
InChIKeyQAGSVYQASOBOHO-UHFFFAOYSA-N
XLogP6.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.70
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzyl-5-methoxycarbonyltriazol-4-yl)-(5-butylnonan-5-yl)tin
CID 141229687
[3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine
CID 105498553
tributyl-[5-methyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]stannane
CID 58926494
5-butylnonan-5-yl-[4-(5-butylnonan-5-yl-λ2-stannanyl)phenyl]tin
CID 141310885
4-(2-chlorophenyl)-N-dodecyl-N-methyl-5-oxotetrazole-1-carboxamide
CID 58502051
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649250
1-[1-(2-chlorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431444
1-(2-ethylphenyl)-4,5-dimethyltriazole
CID 58328350
1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
CID 95572722
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]methanone
CID 124611214
5-butyl-1-(3-chloro-2-methylphenyl)triazole-4-carbonitrile
CID 82196375
1-(2-chlorophenyl)-5-ethylpyrazol-4-amine;hydrochloride
CID 86775399

Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]tin?
The IUPAC name of 5-butylnonan-5-yl-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]tin (CID 141123144) is 5-butylnonan-5-yl-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]tin.
What is the SMILES notation for 5-butylnonan-5-yl-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]tin?
The canonical SMILES for 5-butylnonan-5-yl-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]tin is CCCCC(CCCC)(CCCC)[Sn]c1nnn(-c2ccccc2Cl)c1C.
What is the InChIKey of 5-butylnonan-5-yl-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]tin?
The InChIKey is QAGSVYQASOBOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C9H7ClN3.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-7-6-11-12-13(7)9-5-3-2-4-8(9)10;/h4-12H2,1-3H3;2-5H,1H3;.
What are the key properties of 5-butylnonan-5-yl-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]tin?
5-butylnonan-5-yl-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]tin has a molecular weight of 494.70 g/mol, XLogP of 6.29, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]tin is sourced from PubChem (CID 141123144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).