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

C15H15BrN4 — CID 12916111

IUPAC8-bromo-2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCCc1nc(C)nc2c(Br)c(-c3ccccc3)nn12
InChIInChI=1S/C15H15BrN4/c1-3-7-12-17-10(2)18-15-13(16)14(19-20(12)15)11-8-5-4-6-9-11/h4-6,8-9H,3,7H2,1-2H3
InChIKeyBNORJGZEVZQSMN-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.81
Rot. Bonds3

About 8-bromo-2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine

8-bromo-2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine (PubChem CID 12916111) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 8-bromo-2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name8-bromo-2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine
PubChem CID12916111
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name8-bromo-2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCCc1nc(C)nc2c(Br)c(-c3ccccc3)nn12
InChIInChI=1S/C15H15BrN4/c1-3-7-12-17-10(2)18-15-13(16)14(19-20(12)15)11-8-5-4-6-9-11/h4-6,8-9H,3,7H2,1-2H3
InChIKeyBNORJGZEVZQSMN-UHFFFAOYSA-N
XLogP3.81
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine
CID 12916112
ethyl 3-bromo-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 12511238
1,5-dimethyl-4-phenyl-2-propylimidazole
CID 45097384
7-[3,3-bis(diethoxyphosphoryl)propyl]-3-bromo-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 15229839
6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine
CID 110171361
3-bromo-2-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 69490103
7-butyl-2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine
CID 4888810
2-(2-methyl-5-phenylimidazo[5,1-f][1,2,4]triazin-7-yl)ethanamine
CID 82381864
1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole
CID 71073515
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
2-bromo-5-ethyl-4-phenyl-1,3-thiazole
CID 68778379
1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+)
CID 160958444

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 8-bromo-2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine (CID 12916111) is 8-bromo-2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 8-bromo-2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 8-bromo-2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine is CCCc1nc(C)nc2c(Br)c(-c3ccccc3)nn12.
What is the InChIKey of 8-bromo-2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is BNORJGZEVZQSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-3-7-12-17-10(2)18-15-13(16)14(19-20(12)15)11-8-5-4-6-9-11/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of 8-bromo-2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine?
8-bromo-2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 331.22 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 12916111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).