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

C8H8N4O — CID 75453064

IUPAC4-(3-amino-1,2,4-triazol-1-yl)phenol
SMILESNc1ncn(-c2ccc(O)cc2)n1
InChIInChI=1S/C8H8N4O/c9-8-10-5-12(11-8)6-1-3-7(13)4-2-6/h1-5,13H,(H2,9,11)
InChIKeyNWUODDKBQSKXGT-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.56
Rot. Bonds1

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

4-(3-amino-1,2,4-triazol-1-yl)phenol (PubChem CID 75453064) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 4-(3-amino-1,2,4-triazol-1-yl)phenol.

Molecular Properties

Compound Name4-(3-amino-1,2,4-triazol-1-yl)phenol
PubChem CID75453064
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name4-(3-amino-1,2,4-triazol-1-yl)phenol
SMILESNc1ncn(-c2ccc(O)cc2)n1
InChIInChI=1S/C8H8N4O/c9-8-10-5-12(11-8)6-1-3-7(13)4-2-6/h1-5,13H,(H2,9,11)
InChIKeyNWUODDKBQSKXGT-UHFFFAOYSA-N
XLogP0.56
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,2,4-Triazol-1-yl)phenol
CID 110064
4-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 542910
1-(4-Butoxy-phenyl)-1H-[1,2,4]triazole
CID 11458616
1-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 11084390
3-(4H-1,2,4-triazol-4-yl)phenol
CID 17174911
4-(4H-1,2,4-Triazol-4-yl)phenol
CID 25239502
2-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 15496731
3-(1H-tetrazol-1-yl)phenol
CID 856192
2-(1H-1,2,4-triazol-1-yl)phenol
CID 23055339
3-(1H-1,2,4-triazol-1-yl)phenol
CID 54592961
2-fluoro-4-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 58114323
2-(4H-1,2,4-Triazol-4-yl)phenol
CID 26343030

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1,2,4-triazol-1-yl)phenol?
The IUPAC name of 4-(3-amino-1,2,4-triazol-1-yl)phenol (CID 75453064) is 4-(3-amino-1,2,4-triazol-1-yl)phenol.
What is the SMILES notation for 4-(3-amino-1,2,4-triazol-1-yl)phenol?
The canonical SMILES for 4-(3-amino-1,2,4-triazol-1-yl)phenol is Nc1ncn(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-(3-amino-1,2,4-triazol-1-yl)phenol?
The InChIKey is NWUODDKBQSKXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-8-10-5-12(11-8)6-1-3-7(13)4-2-6/h1-5,13H,(H2,9,11).
What are the key properties of 4-(3-amino-1,2,4-triazol-1-yl)phenol?
4-(3-amino-1,2,4-triazol-1-yl)phenol has a molecular weight of 176.18 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1,2,4-triazol-1-yl)phenol is sourced from PubChem (CID 75453064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).