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

C19H15N5O3 — CID 11152634

IUPAC4-[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-hydroxybut-3-yn-2-yl]phenol
SMILESCC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)c1ccc(O)cc1
InChIInChI=1S/C19H15N5O3/c1-19(26,12-4-6-14(25)7-5-12)9-8-13-11-24-18(16(20)21-13)22-17(23-24)15-3-2-10-27-15/h2-7,10-11,25-26H,1H3,(H2,20,21)
InChIKeyQOWHZXHELQMBCT-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.93
Rot. Bonds2

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

4-[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-hydroxybut-3-yn-2-yl]phenol (PubChem CID 11152634) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 4-[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-hydroxybut-3-yn-2-yl]phenol.

Molecular Properties

Compound Name4-[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-hydroxybut-3-yn-2-yl]phenol
PubChem CID11152634
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name4-[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-hydroxybut-3-yn-2-yl]phenol
SMILESCC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)c1ccc(O)cc1
InChIInChI=1S/C19H15N5O3/c1-19(26,12-4-6-14(25)7-5-12)9-8-13-11-24-18(16(20)21-13)22-17(23-24)15-3-2-10-27-15/h2-7,10-11,25-26H,1H3,(H2,20,21)
InChIKeyQOWHZXHELQMBCT-UHFFFAOYSA-N
XLogP1.93
TPSA122.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.93
H-Bond Donors ≤ 53
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-[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-hydroxybut-3-yn-2-yl]phenol?
The IUPAC name of 4-[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-hydroxybut-3-yn-2-yl]phenol (CID 11152634) is 4-[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-hydroxybut-3-yn-2-yl]phenol.
What is the SMILES notation for 4-[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-hydroxybut-3-yn-2-yl]phenol?
The canonical SMILES for 4-[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-hydroxybut-3-yn-2-yl]phenol is CC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)c1ccc(O)cc1.
What is the InChIKey of 4-[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-hydroxybut-3-yn-2-yl]phenol?
The InChIKey is QOWHZXHELQMBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-19(26,12-4-6-14(25)7-5-12)9-8-13-11-24-18(16(20)21-13)22-17(23-24)15-3-2-10-27-15/h2-7,10-11,25-26H,1H3,(H2,20,21).
What are the key properties of 4-[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-hydroxybut-3-yn-2-yl]phenol?
4-[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-hydroxybut-3-yn-2-yl]phenol has a molecular weight of 361.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-hydroxybut-3-yn-2-yl]phenol is sourced from PubChem (CID 11152634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).