4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-phenylbut-3-yn-2-ol

C19H15N5O2 — CID 11462094

IUPAC4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-phenylbut-3-yn-2-ol
SMILESCC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)c1ccccc1
InChIInChI=1S/C19H15N5O2/c1-19(25,13-6-3-2-4-7-13)10-9-14-12-24-18(16(20)21-14)22-17(23-24)15-8-5-11-26-15/h2-8,11-12,25H,1H3,(H2,20,21)
InChIKeyMUBQTNOOAXJJSD-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.23
Rot. Bonds2

About 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-phenylbut-3-yn-2-ol

4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-phenylbut-3-yn-2-ol (PubChem CID 11462094) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-phenylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-phenylbut-3-yn-2-ol
PubChem CID11462094
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-phenylbut-3-yn-2-ol
SMILESCC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)c1ccccc1
InChIInChI=1S/C19H15N5O2/c1-19(25,13-6-3-2-4-7-13)10-9-14-12-24-18(16(20)21-14)22-17(23-24)15-8-5-11-26-15/h2-8,11-12,25H,1H3,(H2,20,21)
InChIKeyMUBQTNOOAXJJSD-UHFFFAOYSA-N
XLogP2.23
TPSA102.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-phenylbut-3-yn-2-ol?
The IUPAC name of 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-phenylbut-3-yn-2-ol (CID 11462094) is 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-phenylbut-3-yn-2-ol.
What is the SMILES notation for 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-phenylbut-3-yn-2-ol?
The canonical SMILES for 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-phenylbut-3-yn-2-ol is CC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)c1ccccc1.
What is the InChIKey of 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-phenylbut-3-yn-2-ol?
The InChIKey is MUBQTNOOAXJJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-19(25,13-6-3-2-4-7-13)10-9-14-12-24-18(16(20)21-14)22-17(23-24)15-8-5-11-26-15/h2-8,11-12,25H,1H3,(H2,20,21).
What are the key properties of 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-phenylbut-3-yn-2-ol?
4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-phenylbut-3-yn-2-ol has a molecular weight of 345.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-phenylbut-3-yn-2-ol is sourced from PubChem (CID 11462094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).