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

C8H8N4O — CID 135649820

IUPAC2-(3-amino-1H-1,2,4-triazol-5-yl)phenol
SMILESNc1n[nH]c(-c2ccccc2O)n1
InChIInChI=1S/C8H8N4O/c9-8-10-7(11-12-8)5-3-1-2-4-6(5)13/h1-4,13H,(H3,9,10,11,12)
InChIKeyFPTIUOUNXFRAGO-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.76
Rot. Bonds1

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

2-(3-amino-1H-1,2,4-triazol-5-yl)phenol (PubChem CID 135649820) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-(3-amino-1H-1,2,4-triazol-5-yl)phenol.

Molecular Properties

Compound Name2-(3-amino-1H-1,2,4-triazol-5-yl)phenol
PubChem CID135649820
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name2-(3-amino-1H-1,2,4-triazol-5-yl)phenol
SMILESNc1n[nH]c(-c2ccccc2O)n1
InChIInChI=1S/C8H8N4O/c9-8-10-7(11-12-8)5-3-1-2-4-6(5)13/h1-4,13H,(H3,9,10,11,12)
InChIKeyFPTIUOUNXFRAGO-UHFFFAOYSA-N
XLogP0.76
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(methylamino)phenyl]-1H-1,2,4-triazol-3-amine
CID 61319975
5-phenyl-1H-1,2,4-triazol-3-amine
CID 139075773
5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-amine
CID 62648681
5-(3-amino-1H-1,2,4-triazol-5-yl)benzene-1,3-diol
CID 107703091
4-(3-amino-1H-1,2,4-triazol-5-yl)-2,6-ditert-butylphenol
CID 135492399
3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135818619
5-(2-amino-5-methylphenyl)-1H-1,2,4-triazol-3-amine
CID 61319772
2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol
CID 135449034
2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol
CID 135429519
acetic acid;5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine
CID 171322455
2-chloro-6-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 107051661
5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine
CID 62794401

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)phenol?
The IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)phenol (CID 135649820) is 2-(3-amino-1H-1,2,4-triazol-5-yl)phenol.
What is the SMILES notation for 2-(3-amino-1H-1,2,4-triazol-5-yl)phenol?
The canonical SMILES for 2-(3-amino-1H-1,2,4-triazol-5-yl)phenol is Nc1n[nH]c(-c2ccccc2O)n1.
What is the InChIKey of 2-(3-amino-1H-1,2,4-triazol-5-yl)phenol?
The InChIKey is FPTIUOUNXFRAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-8-10-7(11-12-8)5-3-1-2-4-6(5)13/h1-4,13H,(H3,9,10,11,12).
What are the key properties of 2-(3-amino-1H-1,2,4-triazol-5-yl)phenol?
2-(3-amino-1H-1,2,4-triazol-5-yl)phenol has a molecular weight of 176.18 g/mol, XLogP of 0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-1,2,4-triazol-5-yl)phenol is sourced from PubChem (CID 135649820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).