6-(3-cyclohexylprop-1-ynyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C18H19N5O — CID 11267201

IUPAC6-(3-cyclohexylprop-1-ynyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESNc1nc(C#CCC2CCCCC2)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C18H19N5O/c19-16-18-21-17(15-10-5-11-24-15)22-23(18)12-14(20-16)9-4-8-13-6-2-1-3-7-13/h5,10-13H,1-3,6-8H2,(H2,19,20)
InChIKeyBNOJPYWGZKJFRQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.29
Rot. Bonds2

About 6-(3-cyclohexylprop-1-ynyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

6-(3-cyclohexylprop-1-ynyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 11267201) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-(3-cyclohexylprop-1-ynyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(3-cyclohexylprop-1-ynyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID11267201
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name6-(3-cyclohexylprop-1-ynyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESNc1nc(C#CCC2CCCCC2)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C18H19N5O/c19-16-18-21-17(15-10-5-11-24-15)22-23(18)12-14(20-16)9-4-8-13-6-2-1-3-7-13/h5,10-13H,1-3,6-8H2,(H2,19,20)
InChIKeyBNOJPYWGZKJFRQ-UHFFFAOYSA-N
XLogP3.29
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 6-(3-cyclohexylprop-1-ynyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of 6-(3-cyclohexylprop-1-ynyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 11267201) is 6-(3-cyclohexylprop-1-ynyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 6-(3-cyclohexylprop-1-ynyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 6-(3-cyclohexylprop-1-ynyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is Nc1nc(C#CCC2CCCCC2)cn2nc(-c3ccco3)nc12.
What is the InChIKey of 6-(3-cyclohexylprop-1-ynyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is BNOJPYWGZKJFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c19-16-18-21-17(15-10-5-11-24-15)22-23(18)12-14(20-16)9-4-8-13-6-2-1-3-7-13/h5,10-13H,1-3,6-8H2,(H2,19,20).
What are the key properties of 6-(3-cyclohexylprop-1-ynyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
6-(3-cyclohexylprop-1-ynyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 321.38 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclohexylprop-1-ynyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 11267201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).