2-amino-5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)phenol

C15H14N4O — CID 61360966

IUPAC2-amino-5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)phenol
SMILESCc1nnc(-c2ccc(N)c(O)c2)n1-c1ccccc1
InChIInChI=1S/C15H14N4O/c1-10-17-18-15(11-7-8-13(16)14(20)9-11)19(10)12-5-3-2-4-6-12/h2-9,20H,16H2,1H3
InChIKeyAABDUXBDIQJTTK-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.53
Rot. Bonds2

About 2-amino-5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)phenol

2-amino-5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)phenol (PubChem CID 61360966) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-amino-5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name2-amino-5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)phenol
PubChem CID61360966
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-amino-5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)phenol
SMILESCc1nnc(-c2ccc(N)c(O)c2)n1-c1ccccc1
InChIInChI=1S/C15H14N4O/c1-10-17-18-15(11-7-8-13(16)14(20)9-11)19(10)12-5-3-2-4-6-12/h2-9,20H,16H2,1H3
InChIKeyAABDUXBDIQJTTK-UHFFFAOYSA-N
XLogP2.53
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 2-amino-5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)phenol (CID 61360966) is 2-amino-5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 2-amino-5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 2-amino-5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)phenol is Cc1nnc(-c2ccc(N)c(O)c2)n1-c1ccccc1.
What is the InChIKey of 2-amino-5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)phenol?
The InChIKey is AABDUXBDIQJTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-17-18-15(11-7-8-13(16)14(20)9-11)19(10)12-5-3-2-4-6-12/h2-9,20H,16H2,1H3.
What are the key properties of 2-amino-5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)phenol?
2-amino-5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)phenol has a molecular weight of 266.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 61360966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).