2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine

C15H16N4 — CID 12913973

IUPAC2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCCc1nc(C)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C15H16N4/c1-3-7-14-16-11(2)17-15-10-13(18-19(14)15)12-8-5-4-6-9-12/h4-6,8-10H,3,7H2,1-2H3
InChIKeyJAILYNUVXPYOGG-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.05
Rot. Bonds3

About 2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine

2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine (PubChem CID 12913973) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine
PubChem CID12913973
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCCc1nc(C)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C15H16N4/c1-3-7-14-16-11(2)17-15-10-13(18-19(14)15)12-8-5-4-6-9-12/h4-6,8-10H,3,7H2,1-2H3
InChIKeyJAILYNUVXPYOGG-UHFFFAOYSA-N
XLogP3.05
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine (CID 12913973) is 2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine is CCCc1nc(C)nc2cc(-c3ccccc3)nn12.
What is the InChIKey of 2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is JAILYNUVXPYOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-3-7-14-16-11(2)17-15-10-13(18-19(14)15)12-8-5-4-6-9-12/h4-6,8-10H,3,7H2,1-2H3.
What are the key properties of 2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine?
2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 252.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 12913973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).