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

C19H16N6O2 — CID 11164274

IUPAC4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-methyl-1-pyridin-4-ylbut-3-yn-2-ol
SMILESCC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)Cc1ccncc1
InChIInChI=1S/C19H16N6O2/c1-19(26,11-13-5-8-21-9-6-13)7-4-14-12-25-18(16(20)22-14)23-17(24-25)15-3-2-10-27-15/h2-3,5-6,8-10,12,26H,11H2,1H3,(H2,20,22)
InChIKeyIRZFDSHKKISFHN-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.71
Rot. Bonds3

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

4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-methyl-1-pyridin-4-ylbut-3-yn-2-ol (PubChem CID 11164274) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-methyl-1-pyridin-4-ylbut-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-methyl-1-pyridin-4-ylbut-3-yn-2-ol
PubChem CID11164274
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-methyl-1-pyridin-4-ylbut-3-yn-2-ol
SMILESCC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)Cc1ccncc1
InChIInChI=1S/C19H16N6O2/c1-19(26,11-13-5-8-21-9-6-13)7-4-14-12-25-18(16(20)22-14)23-17(24-25)15-3-2-10-27-15/h2-3,5-6,8-10,12,26H,11H2,1H3,(H2,20,22)
InChIKeyIRZFDSHKKISFHN-UHFFFAOYSA-N
XLogP1.71
TPSA115.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-methyl-1-pyridin-4-ylbut-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-methyl-1-pyridin-4-ylbut-3-yn-2-ol (CID 11164274) is 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-methyl-1-pyridin-4-ylbut-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-methyl-1-pyridin-4-ylbut-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-methyl-1-pyridin-4-ylbut-3-yn-2-ol is CC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)Cc1ccncc1.
What is the InChIKey of 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-methyl-1-pyridin-4-ylbut-3-yn-2-ol?
The InChIKey is IRZFDSHKKISFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-19(26,11-13-5-8-21-9-6-13)7-4-14-12-25-18(16(20)22-14)23-17(24-25)15-3-2-10-27-15/h2-3,5-6,8-10,12,26H,11H2,1H3,(H2,20,22).
What are the key properties of 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-methyl-1-pyridin-4-ylbut-3-yn-2-ol?
4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-methyl-1-pyridin-4-ylbut-3-yn-2-ol has a molecular weight of 360.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 8 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-methyl-1-pyridin-4-ylbut-3-yn-2-ol is sourced from PubChem (CID 11164274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).