4-amino-2-(5-aminobenzotriazol-2-yl)phenol

C12H11N5O — CID 4251880

IUPAC4-amino-2-(5-aminobenzotriazol-2-yl)phenol
SMILESNc1ccc(O)c(-n2nc3ccc(N)cc3n2)c1
InChIInChI=1S/C12H11N5O/c13-7-1-3-9-10(5-7)16-17(15-9)11-6-8(14)2-4-12(11)18/h1-6,18H,13-14H2
InChIKeyYUZZMJUAICWJSN-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.29
Rot. Bonds1

About 4-amino-2-(5-aminobenzotriazol-2-yl)phenol

4-amino-2-(5-aminobenzotriazol-2-yl)phenol (PubChem CID 4251880) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-amino-2-(5-aminobenzotriazol-2-yl)phenol.

Molecular Properties

Compound Name4-amino-2-(5-aminobenzotriazol-2-yl)phenol
PubChem CID4251880
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name4-amino-2-(5-aminobenzotriazol-2-yl)phenol
SMILESNc1ccc(O)c(-n2nc3ccc(N)cc3n2)c1
InChIInChI=1S/C12H11N5O/c13-7-1-3-9-10(5-7)16-17(15-9)11-6-8(14)2-4-12(11)18/h1-6,18H,13-14H2
InChIKeyYUZZMJUAICWJSN-UHFFFAOYSA-N
XLogP1.29
TPSA102.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-amine
CID 721106
4-[2-(4-Methylphenyl)hydrazinyl]benzotriazol-5-one
CID 135441716
2-(4-Methoxyphenyl)-2H-1,2,3-benzotriazol-5-ylamine
CID 721101
2-(7H-[1,2,3]Triazolo[4,5-E][2,1,3]benzoxadiazol-7-yl)phenol
CID 382090
2-(5-Amino-benzotriazol-2-yl)-4-nitro-phenol
CID 794439
N-(2-(2-Hydroxyphenyl)-2H-benzotriazol-5-yl)methacrylamide
CID 100239
4-(Benzotriazol-2-yl)phenol
CID 1237088
2-(4-hydroxyphenyl)-2h-benzotriazole N-oxide
CID 14360836
2-(2H-Benzotriazole-2-yl)phenol
CID 10198220
2-(2,4-dihydroxyphenyl)-2H-benzotriazole
CID 11064167
2-(Benzotriazol-2-yl)benzene-1,3-diol
CID 12691728
2-(2'-Hydroxyphenyl)-5-aminobenzotriazole
CID 13000701

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-aminobenzotriazol-2-yl)phenol?
The IUPAC name of 4-amino-2-(5-aminobenzotriazol-2-yl)phenol (CID 4251880) is 4-amino-2-(5-aminobenzotriazol-2-yl)phenol.
What is the SMILES notation for 4-amino-2-(5-aminobenzotriazol-2-yl)phenol?
The canonical SMILES for 4-amino-2-(5-aminobenzotriazol-2-yl)phenol is Nc1ccc(O)c(-n2nc3ccc(N)cc3n2)c1.
What is the InChIKey of 4-amino-2-(5-aminobenzotriazol-2-yl)phenol?
The InChIKey is YUZZMJUAICWJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-7-1-3-9-10(5-7)16-17(15-9)11-6-8(14)2-4-12(11)18/h1-6,18H,13-14H2.
What are the key properties of 4-amino-2-(5-aminobenzotriazol-2-yl)phenol?
4-amino-2-(5-aminobenzotriazol-2-yl)phenol has a molecular weight of 241.25 g/mol, XLogP of 1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-aminobenzotriazol-2-yl)phenol is sourced from PubChem (CID 4251880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).