1,5,6,7-tetrabutyl-4-methylbenzotriazole

C23H39N3 — CID 174823154

IUPAC1,5,6,7-tetrabutyl-4-methylbenzotriazole
SMILESCCCCc1c(CCCC)c(CCCC)c2c(nnn2CCCC)c1C
InChIInChI=1S/C23H39N3/c1-6-10-14-19-18(5)22-23(26(25-24-22)17-13-9-4)21(16-12-8-3)20(19)15-11-7-2/h6-17H2,1-5H3
InChIKeyKOHBAYJKOHYUEW-UHFFFAOYSA-N
MW357.59 g/mol
LogP6.57
Rot. Bonds12

About 1,5,6,7-tetrabutyl-4-methylbenzotriazole

1,5,6,7-tetrabutyl-4-methylbenzotriazole (PubChem CID 174823154) has the molecular formula C23H39N3 and a molecular weight of 357.59 g/mol. Its IUPAC name is 1,5,6,7-tetrabutyl-4-methylbenzotriazole.

Molecular Properties

Compound Name1,5,6,7-tetrabutyl-4-methylbenzotriazole
PubChem CID174823154
Molecular FormulaC23H39N3
Molecular Weight357.59 g/mol
Exact Mass357.31
IUPAC Name1,5,6,7-tetrabutyl-4-methylbenzotriazole
SMILESCCCCc1c(CCCC)c(CCCC)c2c(nnn2CCCC)c1C
InChIInChI=1S/C23H39N3/c1-6-10-14-19-18(5)22-23(26(25-24-22)17-13-9-4)21(16-12-8-3)20(19)15-11-7-2/h6-17H2,1-5H3
InChIKeyKOHBAYJKOHYUEW-UHFFFAOYSA-N
XLogP6.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.59
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-5-methyl-1-propyltriazole
CID 69381876
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
5-butyl-4-chloro-1-propyltriazole
CID 69384361
1-butyl-4-ethyl-5-methyltriazole
CID 69384801
7-bromo-1-butyltriazolo[4,5-c]pyridine
CID 112757295
2-(1-butyl-5-methyltriazol-4-yl)ethanol
CID 82205579
5-butyl-4-fluoro-1-propyltriazole
CID 69382528
1-butyl-4,5-difluorotriazole
CID 69383142
1,5-dibutyl-4-(2,2-dimethylpropyl)triazole
CID 69384495
1,3,5-tributyl-2,4,6-trimethylbenzene
CID 123628431
1-butyl-5-propyltetrazole
CID 69032145
1,4-dibutyl-5-(1,1,2,2,2-pentachloroethyl)triazole
CID 69385511

Frequently Asked Questions

What is the IUPAC name of 1,5,6,7-tetrabutyl-4-methylbenzotriazole?
The IUPAC name of 1,5,6,7-tetrabutyl-4-methylbenzotriazole (CID 174823154) is 1,5,6,7-tetrabutyl-4-methylbenzotriazole.
What is the SMILES notation for 1,5,6,7-tetrabutyl-4-methylbenzotriazole?
The canonical SMILES for 1,5,6,7-tetrabutyl-4-methylbenzotriazole is CCCCc1c(CCCC)c(CCCC)c2c(nnn2CCCC)c1C.
What is the InChIKey of 1,5,6,7-tetrabutyl-4-methylbenzotriazole?
The InChIKey is KOHBAYJKOHYUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3/c1-6-10-14-19-18(5)22-23(26(25-24-22)17-13-9-4)21(16-12-8-3)20(19)15-11-7-2/h6-17H2,1-5H3.
What are the key properties of 1,5,6,7-tetrabutyl-4-methylbenzotriazole?
1,5,6,7-tetrabutyl-4-methylbenzotriazole has a molecular weight of 357.59 g/mol, XLogP of 6.57, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,7-tetrabutyl-4-methylbenzotriazole is sourced from PubChem (CID 174823154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).