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

C8H8N4O2 — CID 107703091

IUPAC5-(3-amino-1H-1,2,4-triazol-5-yl)benzene-1,3-diol
SMILESNc1n[nH]c(-c2cc(O)cc(O)c2)n1
InChIInChI=1S/C8H8N4O2/c9-8-10-7(11-12-8)4-1-5(13)3-6(14)2-4/h1-3,13-14H,(H3,9,10,11,12)
InChIKeyZRLXHLXBZMZMBN-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.47
Rot. Bonds1

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

5-(3-amino-1H-1,2,4-triazol-5-yl)benzene-1,3-diol (PubChem CID 107703091) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 5-(3-amino-1H-1,2,4-triazol-5-yl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(3-amino-1H-1,2,4-triazol-5-yl)benzene-1,3-diol
PubChem CID107703091
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name5-(3-amino-1H-1,2,4-triazol-5-yl)benzene-1,3-diol
SMILESNc1n[nH]c(-c2cc(O)cc(O)c2)n1
InChIInChI=1S/C8H8N4O2/c9-8-10-7(11-12-8)4-1-5(13)3-6(14)2-4/h1-3,13-14H,(H3,9,10,11,12)
InChIKeyZRLXHLXBZMZMBN-UHFFFAOYSA-N
XLogP0.47
TPSA108.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-amino-1H-1,2,4-triazol-5-yl)pyridine-2,6-diamine
CID 12889444
4-(3-amino-1H-1,2,4-triazol-5-yl)-2,6-ditert-butylphenol
CID 135492399
5-phenyl-1H-1,2,4-triazol-3-amine
CID 139075773
5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride
CID 2858656
5-(3-bromophenyl)-1H-1,2,4-triazol-3-amine
CID 3734662
5-(3-amino-4-fluorophenyl)-1H-1,2,4-triazol-3-amine
CID 61319952
2-(3-amino-1H-1,2,4-triazol-5-yl)phenol
CID 135649820
5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 107703098
5-pyridin-1-ium-4-yl-1H-1,2,4-triazol-3-amine;chloride;hydrate
CID 139080430
N-[4-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 3057114
5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 81283303
5-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol
CID 107704580

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1H-1,2,4-triazol-5-yl)benzene-1,3-diol?
The IUPAC name of 5-(3-amino-1H-1,2,4-triazol-5-yl)benzene-1,3-diol (CID 107703091) is 5-(3-amino-1H-1,2,4-triazol-5-yl)benzene-1,3-diol.
What is the SMILES notation for 5-(3-amino-1H-1,2,4-triazol-5-yl)benzene-1,3-diol?
The canonical SMILES for 5-(3-amino-1H-1,2,4-triazol-5-yl)benzene-1,3-diol is Nc1n[nH]c(-c2cc(O)cc(O)c2)n1.
What is the InChIKey of 5-(3-amino-1H-1,2,4-triazol-5-yl)benzene-1,3-diol?
The InChIKey is ZRLXHLXBZMZMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c9-8-10-7(11-12-8)4-1-5(13)3-6(14)2-4/h1-3,13-14H,(H3,9,10,11,12).
What are the key properties of 5-(3-amino-1H-1,2,4-triazol-5-yl)benzene-1,3-diol?
5-(3-amino-1H-1,2,4-triazol-5-yl)benzene-1,3-diol has a molecular weight of 192.18 g/mol, XLogP of 0.47, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1H-1,2,4-triazol-5-yl)benzene-1,3-diol is sourced from PubChem (CID 107703091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).