[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]methanol

C10H9N5O — CID 127030003

IUPAC[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]methanol
SMILESOCc1cn(-c2c[nH]c3ncccc23)nn1
InChIInChI=1S/C10H9N5O/c16-6-7-5-15(14-13-7)9-4-12-10-8(9)2-1-3-11-10/h1-5,16H,6H2,(H,11,12)
InChIKeyWKGQJAVSXXZSBU-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.64
Rot. Bonds2

About [1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]methanol

[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]methanol (PubChem CID 127030003) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is [1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]methanol
PubChem CID127030003
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]methanol
SMILESOCc1cn(-c2c[nH]c3ncccc23)nn1
InChIInChI=1S/C10H9N5O/c16-6-7-5-15(14-13-7)9-4-12-10-8(9)2-1-3-11-10/h1-5,16H,6H2,(H,11,12)
InChIKeyWKGQJAVSXXZSBU-UHFFFAOYSA-N
XLogP0.64
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-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 [1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]methanol?
The IUPAC name of [1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]methanol (CID 127030003) is [1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]methanol?
The canonical SMILES for [1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]methanol is OCc1cn(-c2c[nH]c3ncccc23)nn1.
What is the InChIKey of [1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]methanol?
The InChIKey is WKGQJAVSXXZSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c16-6-7-5-15(14-13-7)9-4-12-10-8(9)2-1-3-11-10/h1-5,16H,6H2,(H,11,12).
What are the key properties of [1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]methanol?
[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]methanol has a molecular weight of 215.22 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]methanol is sourced from PubChem (CID 127030003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).