3-[5-(furan-3-yl)triazolo[4,5-d]pyrimidin-3-yl]phenol

C14H9N5O2 — CID 155549025

IUPAC3-[5-(furan-3-yl)triazolo[4,5-d]pyrimidin-3-yl]phenol
SMILESOc1cccc(-n2nnc3cnc(-c4ccoc4)nc32)c1
InChIInChI=1S/C14H9N5O2/c20-11-3-1-2-10(6-11)19-14-12(17-18-19)7-15-13(16-14)9-4-5-21-8-9/h1-8,20H
InChIKeyOBZXDSCYPNXFNY-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.18
Rot. Bonds2

About 3-[5-(furan-3-yl)triazolo[4,5-d]pyrimidin-3-yl]phenol

3-[5-(furan-3-yl)triazolo[4,5-d]pyrimidin-3-yl]phenol (PubChem CID 155549025) has the molecular formula C14H9N5O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 3-[5-(furan-3-yl)triazolo[4,5-d]pyrimidin-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(furan-3-yl)triazolo[4,5-d]pyrimidin-3-yl]phenol
PubChem CID155549025
Molecular FormulaC14H9N5O2
Molecular Weight279.26 g/mol
Exact Mass279.08
IUPAC Name3-[5-(furan-3-yl)triazolo[4,5-d]pyrimidin-3-yl]phenol
SMILESOc1cccc(-n2nnc3cnc(-c4ccoc4)nc32)c1
InChIInChI=1S/C14H9N5O2/c20-11-3-1-2-10(6-11)19-14-12(17-18-19)7-15-13(16-14)9-4-5-21-8-9/h1-8,20H
InChIKeyOBZXDSCYPNXFNY-UHFFFAOYSA-N
XLogP2.18
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-(furan-3-yl)triazolo[4,5-d]pyrimidin-3-yl]phenol 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 3-[5-(furan-3-yl)triazolo[4,5-d]pyrimidin-3-yl]phenol?
The IUPAC name of 3-[5-(furan-3-yl)triazolo[4,5-d]pyrimidin-3-yl]phenol (CID 155549025) is 3-[5-(furan-3-yl)triazolo[4,5-d]pyrimidin-3-yl]phenol.
What is the SMILES notation for 3-[5-(furan-3-yl)triazolo[4,5-d]pyrimidin-3-yl]phenol?
The canonical SMILES for 3-[5-(furan-3-yl)triazolo[4,5-d]pyrimidin-3-yl]phenol is Oc1cccc(-n2nnc3cnc(-c4ccoc4)nc32)c1.
What is the InChIKey of 3-[5-(furan-3-yl)triazolo[4,5-d]pyrimidin-3-yl]phenol?
The InChIKey is OBZXDSCYPNXFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O2/c20-11-3-1-2-10(6-11)19-14-12(17-18-19)7-15-13(16-14)9-4-5-21-8-9/h1-8,20H.
What are the key properties of 3-[5-(furan-3-yl)triazolo[4,5-d]pyrimidin-3-yl]phenol?
3-[5-(furan-3-yl)triazolo[4,5-d]pyrimidin-3-yl]phenol has a molecular weight of 279.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(furan-3-yl)triazolo[4,5-d]pyrimidin-3-yl]phenol is sourced from PubChem (CID 155549025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).