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

C10H12N4O — CID 62697211

IUPAC2-amino-5-(2-ethyl-1,2,4-triazol-3-yl)phenol
SMILESCCn1ncnc1-c1ccc(N)c(O)c1
InChIInChI=1S/C10H12N4O/c1-2-14-10(12-6-13-14)7-3-4-8(11)9(15)5-7/h3-6,15H,2,11H2,1H3
InChIKeyQMNDDTIAAMXNQK-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.25
Rot. Bonds2

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

2-amino-5-(2-ethyl-1,2,4-triazol-3-yl)phenol (PubChem CID 62697211) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-amino-5-(2-ethyl-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name2-amino-5-(2-ethyl-1,2,4-triazol-3-yl)phenol
PubChem CID62697211
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-amino-5-(2-ethyl-1,2,4-triazol-3-yl)phenol
SMILESCCn1ncnc1-c1ccc(N)c(O)c1
InChIInChI=1S/C10H12N4O/c1-2-14-10(12-6-13-14)7-3-4-8(11)9(15)5-7/h3-6,15H,2,11H2,1H3
InChIKeyQMNDDTIAAMXNQK-UHFFFAOYSA-N
XLogP1.25
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.25
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-(2-ethyl-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 2-amino-5-(2-ethyl-1,2,4-triazol-3-yl)phenol (CID 62697211) is 2-amino-5-(2-ethyl-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 2-amino-5-(2-ethyl-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 2-amino-5-(2-ethyl-1,2,4-triazol-3-yl)phenol is CCn1ncnc1-c1ccc(N)c(O)c1.
What is the InChIKey of 2-amino-5-(2-ethyl-1,2,4-triazol-3-yl)phenol?
The InChIKey is QMNDDTIAAMXNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-14-10(12-6-13-14)7-3-4-8(11)9(15)5-7/h3-6,15H,2,11H2,1H3.
What are the key properties of 2-amino-5-(2-ethyl-1,2,4-triazol-3-yl)phenol?
2-amino-5-(2-ethyl-1,2,4-triazol-3-yl)phenol has a molecular weight of 204.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-ethyl-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 62697211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).