8-bromo-4-propylpyrazolo[5,1-c][1,2,4]triazine

C8H9BrN4 — CID 13011564

IUPAC8-bromo-4-propylpyrazolo[5,1-c][1,2,4]triazine
SMILESCCCc1cnnc2c(Br)cnn12
InChIInChI=1S/C8H9BrN4/c1-2-3-6-4-10-12-8-7(9)5-11-13(6)8/h4-5H,2-3H2,1H3
InChIKeyDIKBMTWTSKMBOB-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.84
Rot. Bonds2

About 8-bromo-4-propylpyrazolo[5,1-c][1,2,4]triazine

8-bromo-4-propylpyrazolo[5,1-c][1,2,4]triazine (PubChem CID 13011564) has the molecular formula C8H9BrN4 and a molecular weight of 241.09 g/mol. Its IUPAC name is 8-bromo-4-propylpyrazolo[5,1-c][1,2,4]triazine.

Molecular Properties

Compound Name8-bromo-4-propylpyrazolo[5,1-c][1,2,4]triazine
PubChem CID13011564
Molecular FormulaC8H9BrN4
Molecular Weight241.09 g/mol
Exact Mass240.00
IUPAC Name8-bromo-4-propylpyrazolo[5,1-c][1,2,4]triazine
SMILESCCCc1cnnc2c(Br)cnn12
InChIInChI=1S/C8H9BrN4/c1-2-3-6-4-10-12-8-7(9)5-11-13(6)8/h4-5H,2-3H2,1H3
InChIKeyDIKBMTWTSKMBOB-UHFFFAOYSA-N
XLogP1.84
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Bromo-7-ethyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 20324960
3-Bromo-5-methyl-7-propyl-pyrazolo[1,5-A]pyrimidine
CID 20324962
3-Bromo-5,7-diethyl-pyrazolo[1,5-A]pyrimidine
CID 20324963
3-Bromo-5,7-di-n-butylpyrazolo[1,5-a]pyrimidine
CID 20324952
4-Propylpyrazolo[5,1-c][1,2,4]triazine
CID 13011561
8-Bromo-4-methylpyrazolo[5,1-c][1,2,4]triazine
CID 13011565
8-Bromo-3,4-dimethylpyrazolo[5,1-c][1,2,4]triazine
CID 13011566
3-t-Butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine
CID 146037688
6-Propyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyrazine
CID 168207736
7-Bromo-3-t-butylpyrazolo[5,1-c][1,2,4]triazine
CID 156025243
7,8-Dibromo-3-t-butylpyrazolo[5,1-c][1,2,4]triazine
CID 156025272
4,7-Dimethylpyrazolo[5,1-c][1,2,4]triazine
CID 18668885

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-propylpyrazolo[5,1-c][1,2,4]triazine?
The IUPAC name of 8-bromo-4-propylpyrazolo[5,1-c][1,2,4]triazine (CID 13011564) is 8-bromo-4-propylpyrazolo[5,1-c][1,2,4]triazine.
What is the SMILES notation for 8-bromo-4-propylpyrazolo[5,1-c][1,2,4]triazine?
The canonical SMILES for 8-bromo-4-propylpyrazolo[5,1-c][1,2,4]triazine is CCCc1cnnc2c(Br)cnn12.
What is the InChIKey of 8-bromo-4-propylpyrazolo[5,1-c][1,2,4]triazine?
The InChIKey is DIKBMTWTSKMBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4/c1-2-3-6-4-10-12-8-7(9)5-11-13(6)8/h4-5H,2-3H2,1H3.
What are the key properties of 8-bromo-4-propylpyrazolo[5,1-c][1,2,4]triazine?
8-bromo-4-propylpyrazolo[5,1-c][1,2,4]triazine has a molecular weight of 241.09 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-propylpyrazolo[5,1-c][1,2,4]triazine is sourced from PubChem (CID 13011564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).