isoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol

C12H10N4O — CID 65363281

IUPACisoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol
SMILESOC(c1ncn[nH]1)c1cncc2ccccc12
InChIInChI=1S/C12H10N4O/c17-11(12-14-7-15-16-12)10-6-13-5-8-3-1-2-4-9(8)10/h1-7,11,17H,(H,14,15,16)
InChIKeyUWPQMBAZQNQGRB-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.43
Rot. Bonds2

About isoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol

isoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol (PubChem CID 65363281) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is isoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol.

Molecular Properties

Compound Nameisoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol
PubChem CID65363281
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Nameisoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol
SMILESOC(c1ncn[nH]1)c1cncc2ccccc12
InChIInChI=1S/C12H10N4O/c17-11(12-14-7-15-16-12)10-6-13-5-8-3-1-2-4-9(8)10/h1-7,11,17H,(H,14,15,16)
InChIKeyUWPQMBAZQNQGRB-UHFFFAOYSA-N
XLogP1.43
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze isoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of isoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol?
The IUPAC name of isoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol (CID 65363281) is isoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol.
What is the SMILES notation for isoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol?
The canonical SMILES for isoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol is OC(c1ncn[nH]1)c1cncc2ccccc12.
What is the InChIKey of isoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol?
The InChIKey is UWPQMBAZQNQGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c17-11(12-14-7-15-16-12)10-6-13-5-8-3-1-2-4-9(8)10/h1-7,11,17H,(H,14,15,16).
What are the key properties of isoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol?
isoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol has a molecular weight of 226.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol is sourced from PubChem (CID 65363281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).