N-(4-tert-butylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazol-4-amine

C21H26N4O — CID 130471929

IUPACN-(4-tert-butylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazol-4-amine
SMILESCOc1ccc(C)cc1-n1nnc(Nc2ccc(C(C)(C)C)cc2)c1C
InChIInChI=1S/C21H26N4O/c1-14-7-12-19(26-6)18(13-14)25-15(2)20(23-24-25)22-17-10-8-16(9-11-17)21(3,4)5/h7-13,22H,1-6H3
InChIKeyQHFPHTALKLWUTG-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.93
Rot. Bonds4

About N-(4-tert-butylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazol-4-amine

N-(4-tert-butylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazol-4-amine (PubChem CID 130471929) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazol-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazol-4-amine
PubChem CID130471929
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-(4-tert-butylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazol-4-amine
SMILESCOc1ccc(C)cc1-n1nnc(Nc2ccc(C(C)(C)C)cc2)c1C
InChIInChI=1S/C21H26N4O/c1-14-7-12-19(26-6)18(13-14)25-15(2)20(23-24-25)22-17-10-8-16(9-11-17)21(3,4)5/h7-13,22H,1-6H3
InChIKeyQHFPHTALKLWUTG-UHFFFAOYSA-N
XLogP4.93
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzenesulfonamide
CID 169248063
N-(3-tert-butyl-4-hydroxyphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 169248124
1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine
CID 169248346
1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82200726
3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride
CID 44891492
N-(4-tert-butylphenyl)-1-(5-chloro-2-methoxyphenyl)-N,5-dimethyltriazol-4-amine
CID 130471960
1-(5-tert-butyl-2-methoxyphenyl)-5-methyltetrazole
CID 90209171
1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole
CID 7245378
4-(4-tert-butylphenyl)sulfonyl-1-(5-fluoro-2-methoxyphenyl)-5-methyltriazole
CID 164621034
N-(4-tert-butylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113112691
2-butan-2-yloxy-5-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzamide
CID 169248043
4-(4-tert-butyl-2-methylphenyl)sulfonyl-1-(2,5-dimethoxyphenyl)-5-methyltriazole
CID 160604411

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazol-4-amine?
The IUPAC name of N-(4-tert-butylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazol-4-amine (CID 130471929) is N-(4-tert-butylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazol-4-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazol-4-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazol-4-amine is COc1ccc(C)cc1-n1nnc(Nc2ccc(C(C)(C)C)cc2)c1C.
What is the InChIKey of N-(4-tert-butylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazol-4-amine?
The InChIKey is QHFPHTALKLWUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14-7-12-19(26-6)18(13-14)25-15(2)20(23-24-25)22-17-10-8-16(9-11-17)21(3,4)5/h7-13,22H,1-6H3.
What are the key properties of N-(4-tert-butylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazol-4-amine?
N-(4-tert-butylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazol-4-amine has a molecular weight of 350.47 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazol-4-amine is sourced from PubChem (CID 130471929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).