pyridin-3-ol;2H-triazole

C7H8N4O — CID 175435017

IUPACpyridin-3-ol;2H-triazole
SMILESOc1cccnc1.c1cn[nH]n1
InChIInChI=1S/C5H5NO.C2H3N3/c7-5-2-1-3-6-4-5;1-2-4-5-3-1/h1-4,7H;1-2H,(H,3,4,5)
InChIKeyWMKPGERUAPQKDR-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.59
Rot. Bonds

About pyridin-3-ol;2H-triazole

pyridin-3-ol;2H-triazole (PubChem CID 175435017) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is pyridin-3-ol;2H-triazole.

Molecular Properties

Compound Namepyridin-3-ol;2H-triazole
PubChem CID175435017
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Namepyridin-3-ol;2H-triazole
SMILESOc1cccnc1.c1cn[nH]n1
InChIInChI=1S/C5H5NO.C2H3N3/c7-5-2-1-3-6-4-5;1-2-4-5-3-1/h1-4,7H;1-2H,(H,3,4,5)
InChIKeyWMKPGERUAPQKDR-UHFFFAOYSA-N
XLogP0.59
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze pyridin-3-ol;2H-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyridin-3-ol;titanium(3+);trichloride
CID 19362153
pyridin-3-ol;sulfuric acid
CID 126483658
propanedioic acid;pyridin-3-ol
CID 73057441
ethane;pyridin-3-ol;1H-pyridin-4-one
CID 159083405
phenol;propane;2H-triazole
CID 175597378
3-deuteriooxypyridine
CID 138396031
6-ethylazecin-3-ol
CID 89227055
4-(pyridin-3-ylmethyl)phenol;hydrochloride
CID 13290136
bis(pyridin-3-ylmethyl)azanium
CID 6946562
bromomethane;pyridin-3-ylmethanol
CID 158702197
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
benzene;2H-triazole
CID 174814163

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ol;2H-triazole?
The IUPAC name of pyridin-3-ol;2H-triazole (CID 175435017) is pyridin-3-ol;2H-triazole.
What is the SMILES notation for pyridin-3-ol;2H-triazole?
The canonical SMILES for pyridin-3-ol;2H-triazole is Oc1cccnc1.c1cn[nH]n1.
What is the InChIKey of pyridin-3-ol;2H-triazole?
The InChIKey is WMKPGERUAPQKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.C2H3N3/c7-5-2-1-3-6-4-5;1-2-4-5-3-1/h1-4,7H;1-2H,(H,3,4,5).
What are the key properties of pyridin-3-ol;2H-triazole?
pyridin-3-ol;2H-triazole has a molecular weight of 164.17 g/mol, XLogP of 0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ol;2H-triazole is sourced from PubChem (CID 175435017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).