3-(5-amino-4-propan-2-yltriazol-1-yl)phenol

C11H14N4O — CID 105472470

IUPAC3-(5-amino-4-propan-2-yltriazol-1-yl)phenol
SMILESCC(C)c1nnn(-c2cccc(O)c2)c1N
InChIInChI=1S/C11H14N4O/c1-7(2)10-11(12)15(14-13-10)8-4-3-5-9(16)6-8/h3-7,16H,12H2,1-2H3
InChIKeyVICMLHOBXRGDGQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.68
Rot. Bonds2

About 3-(5-amino-4-propan-2-yltriazol-1-yl)phenol

3-(5-amino-4-propan-2-yltriazol-1-yl)phenol (PubChem CID 105472470) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(5-amino-4-propan-2-yltriazol-1-yl)phenol.

Molecular Properties

Compound Name3-(5-amino-4-propan-2-yltriazol-1-yl)phenol
PubChem CID105472470
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-(5-amino-4-propan-2-yltriazol-1-yl)phenol
SMILESCC(C)c1nnn(-c2cccc(O)c2)c1N
InChIInChI=1S/C11H14N4O/c1-7(2)10-11(12)15(14-13-10)8-4-3-5-9(16)6-8/h3-7,16H,12H2,1-2H3
InChIKeyVICMLHOBXRGDGQ-UHFFFAOYSA-N
XLogP1.68
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-amino-4-ethyltriazol-1-yl)phenol
CID 105456148
3-(4-chlorophenyl)-5-propan-2-yltriazol-4-amine
CID 105498545
3-(4-amino-5-ethyltriazol-1-yl)phenol
CID 105456139
5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole
CID 170030388
3-(5-propan-2-ylpyrazol-1-yl)phenol
CID 84776764
3-(5-aminotriazol-1-yl)phenol
CID 105436385
3-[5-(trifluoromethyl)tetrazol-1-yl]phenol
CID 178199956
3-[5-(2-hydroxypropyl)triazol-1-yl]phenol
CID 117167193
1-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671186
3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol
CID 58393454
3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol
CID 83864512
3-(3-hydroxyphenyl)triazole-4-carbaldehyde
CID 82363674

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-propan-2-yltriazol-1-yl)phenol?
The IUPAC name of 3-(5-amino-4-propan-2-yltriazol-1-yl)phenol (CID 105472470) is 3-(5-amino-4-propan-2-yltriazol-1-yl)phenol.
What is the SMILES notation for 3-(5-amino-4-propan-2-yltriazol-1-yl)phenol?
The canonical SMILES for 3-(5-amino-4-propan-2-yltriazol-1-yl)phenol is CC(C)c1nnn(-c2cccc(O)c2)c1N.
What is the InChIKey of 3-(5-amino-4-propan-2-yltriazol-1-yl)phenol?
The InChIKey is VICMLHOBXRGDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7(2)10-11(12)15(14-13-10)8-4-3-5-9(16)6-8/h3-7,16H,12H2,1-2H3.
What are the key properties of 3-(5-amino-4-propan-2-yltriazol-1-yl)phenol?
3-(5-amino-4-propan-2-yltriazol-1-yl)phenol has a molecular weight of 218.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-propan-2-yltriazol-1-yl)phenol is sourced from PubChem (CID 105472470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).