7-bromo-3-propyltriazolo[4,5-c]pyridine

C8H9BrN4 — CID 112757290

IUPAC7-bromo-3-propyltriazolo[4,5-c]pyridine
SMILESCCCn1nnc2c(Br)cncc21
InChIInChI=1S/C8H9BrN4/c1-2-3-13-7-5-10-4-6(9)8(7)11-12-13/h4-5H,2-3H2,1H3
InChIKeyBOHGCQRTVPVPOJ-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.00
Rot. Bonds2

About 7-bromo-3-propyltriazolo[4,5-c]pyridine

7-bromo-3-propyltriazolo[4,5-c]pyridine (PubChem CID 112757290) has the molecular formula C8H9BrN4 and a molecular weight of 241.09 g/mol. Its IUPAC name is 7-bromo-3-propyltriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name7-bromo-3-propyltriazolo[4,5-c]pyridine
PubChem CID112757290
Molecular FormulaC8H9BrN4
Molecular Weight241.09 g/mol
Exact Mass240.00
IUPAC Name7-bromo-3-propyltriazolo[4,5-c]pyridine
SMILESCCCn1nnc2c(Br)cncc21
InChIInChI=1S/C8H9BrN4/c1-2-3-13-7-5-10-4-6(9)8(7)11-12-13/h4-5H,2-3H2,1H3
InChIKeyBOHGCQRTVPVPOJ-UHFFFAOYSA-N
XLogP2.00
TPSA43.60 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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-1-butyltriazolo[4,5-c]pyridine
CID 112757295
4,5-dibromo-1-propyltriazole
CID 69386726
5-(2-bromophenyl)-1-propyltriazole-4-carboxylic acid
CID 94943882
2-(4-bromo-1-propylpyrazol-5-yl)ethanamine
CID 114662670
3-propyl-[1,3]thiazolo[5,4-d]triazin-4-one
CID 171977902
1-propyl-6-(trifluoromethyl)benzotriazole
CID 134298697
5-(5-bromo-4-methylbenzotriazol-1-yl)pentan-1-ol
CID 166061587
5-bromo-4-chloro-1-propylpyrazole
CID 164664603
bis(1-propyltetrazol-5-yl)diazene
CID 3559137
4-butyl-5-methyl-1-propyltriazole
CID 69381876
ethane;5-methyl-1-propyltriazole
CID 164526823
(E)-2-amino-3-(3-propyltriazol-4-yl)prop-2-enoic acid
CID 114689935

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-propyltriazolo[4,5-c]pyridine?
The IUPAC name of 7-bromo-3-propyltriazolo[4,5-c]pyridine (CID 112757290) is 7-bromo-3-propyltriazolo[4,5-c]pyridine.
What is the SMILES notation for 7-bromo-3-propyltriazolo[4,5-c]pyridine?
The canonical SMILES for 7-bromo-3-propyltriazolo[4,5-c]pyridine is CCCn1nnc2c(Br)cncc21.
What is the InChIKey of 7-bromo-3-propyltriazolo[4,5-c]pyridine?
The InChIKey is BOHGCQRTVPVPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4/c1-2-3-13-7-5-10-4-6(9)8(7)11-12-13/h4-5H,2-3H2,1H3.
What are the key properties of 7-bromo-3-propyltriazolo[4,5-c]pyridine?
7-bromo-3-propyltriazolo[4,5-c]pyridine has a molecular weight of 241.09 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-propyltriazolo[4,5-c]pyridine is sourced from PubChem (CID 112757290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).