2-N,4-N-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

C17H14N6 — CID 24779674

IUPAC2-N,4-N-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESc1ccc(Nc2nc(Nc3ccccc3)n3nccc3n2)cc1
InChIInChI=1S/C17H14N6/c1-3-7-13(8-4-1)19-16-21-15-11-12-18-23(15)17(22-16)20-14-9-5-2-6-10-14/h1-12H,(H2,19,20,21,22)
InChIKeyLLYYAUZAGCZEKV-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.61
Rot. Bonds4

About 2-N,4-N-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

2-N,4-N-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (PubChem CID 24779674) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-N,4-N-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
PubChem CID24779674
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name2-N,4-N-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESc1ccc(Nc2nc(Nc3ccccc3)n3nccc3n2)cc1
InChIInChI=1S/C17H14N6/c1-3-7-13(8-4-1)19-16-21-15-11-12-18-23(15)17(22-16)20-14-9-5-2-6-10-14/h1-12H,(H2,19,20,21,22)
InChIKeyLLYYAUZAGCZEKV-UHFFFAOYSA-N
XLogP3.61
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (CID 24779674) is 2-N,4-N-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is c1ccc(Nc2nc(Nc3ccccc3)n3nccc3n2)cc1.
What is the InChIKey of 2-N,4-N-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The InChIKey is LLYYAUZAGCZEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c1-3-7-13(8-4-1)19-16-21-15-11-12-18-23(15)17(22-16)20-14-9-5-2-6-10-14/h1-12H,(H2,19,20,21,22).
What are the key properties of 2-N,4-N-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
2-N,4-N-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine has a molecular weight of 302.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is sourced from PubChem (CID 24779674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).