3-tert-butyl-6-methoxy-2-methyl-1H-benzotriazole

C12H19N3O — CID 134239495

IUPAC3-tert-butyl-6-methoxy-2-methyl-1H-benzotriazole
SMILESCOc1ccc2c(c1)NN(C)N2C(C)(C)C
InChIInChI=1S/C12H19N3O/c1-12(2,3)15-11-7-6-9(16-5)8-10(11)13-14(15)4/h6-8,13H,1-5H3
InChIKeyCRSVUJUPRFHKKP-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.49
Rot. Bonds1

About 3-tert-butyl-6-methoxy-2-methyl-1H-benzotriazole

3-tert-butyl-6-methoxy-2-methyl-1H-benzotriazole (PubChem CID 134239495) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-tert-butyl-6-methoxy-2-methyl-1H-benzotriazole.

Molecular Properties

Compound Name3-tert-butyl-6-methoxy-2-methyl-1H-benzotriazole
PubChem CID134239495
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-tert-butyl-6-methoxy-2-methyl-1H-benzotriazole
SMILESCOc1ccc2c(c1)NN(C)N2C(C)(C)C
InChIInChI=1S/C12H19N3O/c1-12(2,3)15-11-7-6-9(16-5)8-10(11)13-14(15)4/h6-8,13H,1-5H3
InChIKeyCRSVUJUPRFHKKP-UHFFFAOYSA-N
XLogP2.49
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 143474953
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5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine
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7-methoxy-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepine-2-thione
CID 23241535
1-(2-tert-butyl-4-methoxyphenyl)pyrazole
CID 160761915
1-tert-butyl-6-methoxybenzimidazole
CID 21460432
2-tert-butyl-4-methoxyphenolate
CID 19016621
2-methoxy-6-[(2-methylpropan-2-yl)oxy]naphthalene
CID 155296690
6-methoxy-2,3-dihydro-1,2,3-benzothiadiazole
CID 22420669
3-tert-butyl-5-chloro-4-(2,4-dimethoxyphenyl)-1,2,4-triazole
CID 63384429
5-methoxy-2H-isoindole
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1-(4-methoxy-2-methylphenyl)-4-methylpiperazine
CID 21363831

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methoxy-2-methyl-1H-benzotriazole?
The IUPAC name of 3-tert-butyl-6-methoxy-2-methyl-1H-benzotriazole (CID 134239495) is 3-tert-butyl-6-methoxy-2-methyl-1H-benzotriazole.
What is the SMILES notation for 3-tert-butyl-6-methoxy-2-methyl-1H-benzotriazole?
The canonical SMILES for 3-tert-butyl-6-methoxy-2-methyl-1H-benzotriazole is COc1ccc2c(c1)NN(C)N2C(C)(C)C.
What is the InChIKey of 3-tert-butyl-6-methoxy-2-methyl-1H-benzotriazole?
The InChIKey is CRSVUJUPRFHKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)15-11-7-6-9(16-5)8-10(11)13-14(15)4/h6-8,13H,1-5H3.
What are the key properties of 3-tert-butyl-6-methoxy-2-methyl-1H-benzotriazole?
3-tert-butyl-6-methoxy-2-methyl-1H-benzotriazole has a molecular weight of 221.30 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methoxy-2-methyl-1H-benzotriazole is sourced from PubChem (CID 134239495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).