2-ethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine

C13H12N4 — CID 12913974

IUPAC2-ethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCc1ncn2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C13H12N4/c1-2-12-14-9-17-13(15-12)8-11(16-17)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyLSFLROHHYQOPFL-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.35
Rot. Bonds2

About 2-ethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine

2-ethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine (PubChem CID 12913974) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-ethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name2-ethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine
PubChem CID12913974
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-ethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCc1ncn2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C13H12N4/c1-2-12-14-9-17-13(15-12)8-11(16-17)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyLSFLROHHYQOPFL-UHFFFAOYSA-N
XLogP2.35
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 2-ethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine (CID 12913974) is 2-ethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 2-ethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 2-ethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine is CCc1ncn2nc(-c3ccccc3)cc2n1.
What is the InChIKey of 2-ethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is LSFLROHHYQOPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-2-12-14-9-17-13(15-12)8-11(16-17)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of 2-ethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine?
2-ethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 224.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 12913974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).