5-tert-butyl-3-(4-methoxyphenyl)triazol-4-amine

C13H18N4O — CID 166024360

IUPAC5-tert-butyl-3-(4-methoxyphenyl)triazol-4-amine
SMILESCOc1ccc(-n2nnc(C(C)(C)C)c2N)cc1
InChIInChI=1S/C13H18N4O/c1-13(2,3)11-12(14)17(16-15-11)9-5-7-10(18-4)8-6-9/h5-8H,14H2,1-4H3
InChIKeyZGPJXVQBWXFMDD-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.16
Rot. Bonds2

About 5-tert-butyl-3-(4-methoxyphenyl)triazol-4-amine

5-tert-butyl-3-(4-methoxyphenyl)triazol-4-amine (PubChem CID 166024360) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-tert-butyl-3-(4-methoxyphenyl)triazol-4-amine.

Molecular Properties

Compound Name5-tert-butyl-3-(4-methoxyphenyl)triazol-4-amine
PubChem CID166024360
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-tert-butyl-3-(4-methoxyphenyl)triazol-4-amine
SMILESCOc1ccc(-n2nnc(C(C)(C)C)c2N)cc1
InChIInChI=1S/C13H18N4O/c1-13(2,3)11-12(14)17(16-15-11)9-5-7-10(18-4)8-6-9/h5-8H,14H2,1-4H3
InChIKeyZGPJXVQBWXFMDD-UHFFFAOYSA-N
XLogP2.16
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine
CID 82370104
3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine
CID 82370111
3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 20904477
4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100561110
5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine
CID 53034220
4-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline
CID 61353201
1,7-bis(4-methoxyphenyl)triazolo[4,5-f]benzotriazole-4,8-dione
CID 139192212
1-(4-methoxyphenyl)-4-methyltetrazol-5-one
CID 139194376
3-(4-bromophenyl)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 16833201
3-[5-amino-1-(4-chlorophenyl)triazol-4-yl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 15275541
4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol
CID 82194969
1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazol-4-amine
CID 73333291

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(4-methoxyphenyl)triazol-4-amine?
The IUPAC name of 5-tert-butyl-3-(4-methoxyphenyl)triazol-4-amine (CID 166024360) is 5-tert-butyl-3-(4-methoxyphenyl)triazol-4-amine.
What is the SMILES notation for 5-tert-butyl-3-(4-methoxyphenyl)triazol-4-amine?
The canonical SMILES for 5-tert-butyl-3-(4-methoxyphenyl)triazol-4-amine is COc1ccc(-n2nnc(C(C)(C)C)c2N)cc1.
What is the InChIKey of 5-tert-butyl-3-(4-methoxyphenyl)triazol-4-amine?
The InChIKey is ZGPJXVQBWXFMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-13(2,3)11-12(14)17(16-15-11)9-5-7-10(18-4)8-6-9/h5-8H,14H2,1-4H3.
What are the key properties of 5-tert-butyl-3-(4-methoxyphenyl)triazol-4-amine?
5-tert-butyl-3-(4-methoxyphenyl)triazol-4-amine has a molecular weight of 246.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(4-methoxyphenyl)triazol-4-amine is sourced from PubChem (CID 166024360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).