4-anilino-2-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile

C18H20N8 — CID 24779677

IUPAC4-anilino-2-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
SMILESCCN1CCN(c2nc(Nc3ccccc3)n3ncc(C#N)c3n2)CC1
InChIInChI=1S/C18H20N8/c1-2-24-8-10-25(11-9-24)17-22-16-14(12-19)13-20-26(16)18(23-17)21-15-6-4-3-5-7-15/h3-7,13H,2,8-11H2,1H3,(H,21,22,23)
InChIKeyBIFHJPUTQBOBGJ-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.88
Rot. Bonds4

About 4-anilino-2-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile

4-anilino-2-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile (PubChem CID 24779677) has the molecular formula C18H20N8 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-anilino-2-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile.

Molecular Properties

Compound Name4-anilino-2-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
PubChem CID24779677
Molecular FormulaC18H20N8
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC Name4-anilino-2-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
SMILESCCN1CCN(c2nc(Nc3ccccc3)n3ncc(C#N)c3n2)CC1
InChIInChI=1S/C18H20N8/c1-2-24-8-10-25(11-9-24)17-22-16-14(12-19)13-20-26(16)18(23-17)21-15-6-4-3-5-7-15/h3-7,13H,2,8-11H2,1H3,(H,21,22,23)
InChIKeyBIFHJPUTQBOBGJ-UHFFFAOYSA-N
XLogP1.88
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The IUPAC name of 4-anilino-2-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile (CID 24779677) is 4-anilino-2-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile.
What is the SMILES notation for 4-anilino-2-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The canonical SMILES for 4-anilino-2-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile is CCN1CCN(c2nc(Nc3ccccc3)n3ncc(C#N)c3n2)CC1.
What is the InChIKey of 4-anilino-2-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The InChIKey is BIFHJPUTQBOBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8/c1-2-24-8-10-25(11-9-24)17-22-16-14(12-19)13-20-26(16)18(23-17)21-15-6-4-3-5-7-15/h3-7,13H,2,8-11H2,1H3,(H,21,22,23).
What are the key properties of 4-anilino-2-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
4-anilino-2-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile has a molecular weight of 348.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile is sourced from PubChem (CID 24779677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).