2-[5-amino-4-(4-propan-2-ylphenyl)triazol-1-yl]phenol

C17H18N4O — CID 82370605

IUPAC2-[5-amino-4-(4-propan-2-ylphenyl)triazol-1-yl]phenol
SMILESCC(C)c1ccc(-c2nnn(-c3ccccc3O)c2N)cc1
InChIInChI=1S/C17H18N4O/c1-11(2)12-7-9-13(10-8-12)16-17(18)21(20-19-16)14-5-3-4-6-15(14)22/h3-11,22H,18H2,1-2H3
InChIKeyQCNLPXOTDFMYLV-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.35
Rot. Bonds3

About 2-[5-amino-4-(4-propan-2-ylphenyl)triazol-1-yl]phenol

2-[5-amino-4-(4-propan-2-ylphenyl)triazol-1-yl]phenol (PubChem CID 82370605) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[5-amino-4-(4-propan-2-ylphenyl)triazol-1-yl]phenol.

Molecular Properties

Compound Name2-[5-amino-4-(4-propan-2-ylphenyl)triazol-1-yl]phenol
PubChem CID82370605
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-[5-amino-4-(4-propan-2-ylphenyl)triazol-1-yl]phenol
SMILESCC(C)c1ccc(-c2nnn(-c3ccccc3O)c2N)cc1
InChIInChI=1S/C17H18N4O/c1-11(2)12-7-9-13(10-8-12)16-17(18)21(20-19-16)14-5-3-4-6-15(14)22/h3-11,22H,18H2,1-2H3
InChIKeyQCNLPXOTDFMYLV-UHFFFAOYSA-N
XLogP3.35
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-(4-propan-2-ylphenyl)triazol-1-yl]phenol?
The IUPAC name of 2-[5-amino-4-(4-propan-2-ylphenyl)triazol-1-yl]phenol (CID 82370605) is 2-[5-amino-4-(4-propan-2-ylphenyl)triazol-1-yl]phenol.
What is the SMILES notation for 2-[5-amino-4-(4-propan-2-ylphenyl)triazol-1-yl]phenol?
The canonical SMILES for 2-[5-amino-4-(4-propan-2-ylphenyl)triazol-1-yl]phenol is CC(C)c1ccc(-c2nnn(-c3ccccc3O)c2N)cc1.
What is the InChIKey of 2-[5-amino-4-(4-propan-2-ylphenyl)triazol-1-yl]phenol?
The InChIKey is QCNLPXOTDFMYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11(2)12-7-9-13(10-8-12)16-17(18)21(20-19-16)14-5-3-4-6-15(14)22/h3-11,22H,18H2,1-2H3.
What are the key properties of 2-[5-amino-4-(4-propan-2-ylphenyl)triazol-1-yl]phenol?
2-[5-amino-4-(4-propan-2-ylphenyl)triazol-1-yl]phenol has a molecular weight of 294.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-(4-propan-2-ylphenyl)triazol-1-yl]phenol is sourced from PubChem (CID 82370605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).