5-tert-butyl-1-[(2-ethoxyphenyl)methyl]triazol-4-amine

C15H22N4O — CID 79547915

IUPAC5-tert-butyl-1-[(2-ethoxyphenyl)methyl]triazol-4-amine
SMILESCCOc1ccccc1Cn1nnc(N)c1C(C)(C)C
InChIInChI=1S/C15H22N4O/c1-5-20-12-9-7-6-8-11(12)10-19-13(15(2,3)4)14(16)17-18-19/h6-9H,5,10,16H2,1-4H3
InChIKeySIEYCCWQMLBQAC-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.60
Rot. Bonds4

About 5-tert-butyl-1-[(2-ethoxyphenyl)methyl]triazol-4-amine

5-tert-butyl-1-[(2-ethoxyphenyl)methyl]triazol-4-amine (PubChem CID 79547915) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-tert-butyl-1-[(2-ethoxyphenyl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-tert-butyl-1-[(2-ethoxyphenyl)methyl]triazol-4-amine
PubChem CID79547915
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name5-tert-butyl-1-[(2-ethoxyphenyl)methyl]triazol-4-amine
SMILESCCOc1ccccc1Cn1nnc(N)c1C(C)(C)C
InChIInChI=1S/C15H22N4O/c1-5-20-12-9-7-6-8-11(12)10-19-13(15(2,3)4)14(16)17-18-19/h6-9H,5,10,16H2,1-4H3
InChIKeySIEYCCWQMLBQAC-UHFFFAOYSA-N
XLogP2.60
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-ethoxyphenyl)methyl]-5-propan-2-yltriazol-4-amine
CID 79542255
5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine
CID 79547302
1-[(5-bromofuran-2-yl)methyl]-5-tert-butyltriazol-4-amine
CID 79548181
3-[(2-ethoxyphenyl)methyl]-5-methoxy-1,3,4-oxadiazol-2-one
CID 13488164
2-[(2-ethoxyphenyl)methylamino]-2-methylpropanamide
CID 61211249
1-(2-ethoxyphenyl)-2-methylpropan-2-ol
CID 91658115
[5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol
CID 82197444
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110360001
5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine
CID 79542133
1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine
CID 4529785
1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine
CID 79542823
5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 10562267

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[(2-ethoxyphenyl)methyl]triazol-4-amine?
The IUPAC name of 5-tert-butyl-1-[(2-ethoxyphenyl)methyl]triazol-4-amine (CID 79547915) is 5-tert-butyl-1-[(2-ethoxyphenyl)methyl]triazol-4-amine.
What is the SMILES notation for 5-tert-butyl-1-[(2-ethoxyphenyl)methyl]triazol-4-amine?
The canonical SMILES for 5-tert-butyl-1-[(2-ethoxyphenyl)methyl]triazol-4-amine is CCOc1ccccc1Cn1nnc(N)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1-[(2-ethoxyphenyl)methyl]triazol-4-amine?
The InChIKey is SIEYCCWQMLBQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-20-12-9-7-6-8-11(12)10-19-13(15(2,3)4)14(16)17-18-19/h6-9H,5,10,16H2,1-4H3.
What are the key properties of 5-tert-butyl-1-[(2-ethoxyphenyl)methyl]triazol-4-amine?
5-tert-butyl-1-[(2-ethoxyphenyl)methyl]triazol-4-amine has a molecular weight of 274.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[(2-ethoxyphenyl)methyl]triazol-4-amine is sourced from PubChem (CID 79547915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).