7-bromo-4-butyl-3-tert-butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine

C14H21BrN4 — CID 166175092

IUPAC7-bromo-4-butyl-3-tert-butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine
SMILESCCCCc1c(C(C)(C)C)nnc2c(C)c(Br)nn12
InChIInChI=1S/C14H21BrN4/c1-6-7-8-10-11(14(3,4)5)16-17-13-9(2)12(15)18-19(10)13/h6-8H2,1-5H3
InChIKeyPEFCZSQGDCGESC-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.84
Rot. Bonds3

About 7-bromo-4-butyl-3-tert-butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine

7-bromo-4-butyl-3-tert-butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine (PubChem CID 166175092) has the molecular formula C14H21BrN4 and a molecular weight of 325.25 g/mol. Its IUPAC name is 7-bromo-4-butyl-3-tert-butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine.

Molecular Properties

Compound Name7-bromo-4-butyl-3-tert-butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine
PubChem CID166175092
Molecular FormulaC14H21BrN4
Molecular Weight325.25 g/mol
Exact Mass324.09
IUPAC Name7-bromo-4-butyl-3-tert-butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine
SMILESCCCCc1c(C(C)(C)C)nnc2c(C)c(Br)nn12
InChIInChI=1S/C14H21BrN4/c1-6-7-8-10-11(14(3,4)5)16-17-13-9(2)12(15)18-19(10)13/h6-8H2,1-5H3
InChIKeyPEFCZSQGDCGESC-UHFFFAOYSA-N
XLogP3.84
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-butyl-3-tert-butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine?
The IUPAC name of 7-bromo-4-butyl-3-tert-butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine (CID 166175092) is 7-bromo-4-butyl-3-tert-butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine.
What is the SMILES notation for 7-bromo-4-butyl-3-tert-butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine?
The canonical SMILES for 7-bromo-4-butyl-3-tert-butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine is CCCCc1c(C(C)(C)C)nnc2c(C)c(Br)nn12.
What is the InChIKey of 7-bromo-4-butyl-3-tert-butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine?
The InChIKey is PEFCZSQGDCGESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4/c1-6-7-8-10-11(14(3,4)5)16-17-13-9(2)12(15)18-19(10)13/h6-8H2,1-5H3.
What are the key properties of 7-bromo-4-butyl-3-tert-butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine?
7-bromo-4-butyl-3-tert-butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine has a molecular weight of 325.25 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-butyl-3-tert-butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine is sourced from PubChem (CID 166175092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).