7-bromo-3-cyclopropyl-5-methyltriazolo[4,5-b]pyridine

C9H9BrN4 — CID 83843857

IUPAC7-bromo-3-cyclopropyl-5-methyltriazolo[4,5-b]pyridine
SMILESCc1cc(Br)c2nnn(C3CC3)c2n1
InChIInChI=1S/C9H9BrN4/c1-5-4-7(10)8-9(11-5)14(13-12-8)6-2-3-6/h4,6H,2-3H2,1H3
InChIKeyGHHFGGUDCRROFZ-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.23
Rot. Bonds1

About 7-bromo-3-cyclopropyl-5-methyltriazolo[4,5-b]pyridine

7-bromo-3-cyclopropyl-5-methyltriazolo[4,5-b]pyridine (PubChem CID 83843857) has the molecular formula C9H9BrN4 and a molecular weight of 253.10 g/mol. Its IUPAC name is 7-bromo-3-cyclopropyl-5-methyltriazolo[4,5-b]pyridine.

Molecular Properties

Compound Name7-bromo-3-cyclopropyl-5-methyltriazolo[4,5-b]pyridine
PubChem CID83843857
Molecular FormulaC9H9BrN4
Molecular Weight253.10 g/mol
Exact Mass252.00
IUPAC Name7-bromo-3-cyclopropyl-5-methyltriazolo[4,5-b]pyridine
SMILESCc1cc(Br)c2nnn(C3CC3)c2n1
InChIInChI=1S/C9H9BrN4/c1-5-4-7(10)8-9(11-5)14(13-12-8)6-2-3-6/h4,6H,2-3H2,1H3
InChIKeyGHHFGGUDCRROFZ-UHFFFAOYSA-N
XLogP2.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-cyclobutyl-6-fluorobenzotriazole
CID 146036875
1-cyclopropyl-4,5-dimethyltriazole
CID 139406030
7-bromo-1-cyclopropyl-5-fluorobenzotriazole
CID 83681293
1-cyclopropyl-5-methyl-1,2,4-triazole
CID 135170568
8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one
CID 170450465
7-bromo-1-cyclopropyltriazolo[4,5-c]pyridine
CID 83681249
3-cyclopropyltriazolo[4,5-b]pyridin-5-amine
CID 84655218
5-bromo-1-cyclopentyl-6-fluorobenzotriazole
CID 70699925
5-bromo-1-cyclohexyl-3-methylpyrazole
CID 82386636
2-bromo-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline
CID 61376603
3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine
CID 90792997
2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 47153947

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-cyclopropyl-5-methyltriazolo[4,5-b]pyridine?
The IUPAC name of 7-bromo-3-cyclopropyl-5-methyltriazolo[4,5-b]pyridine (CID 83843857) is 7-bromo-3-cyclopropyl-5-methyltriazolo[4,5-b]pyridine.
What is the SMILES notation for 7-bromo-3-cyclopropyl-5-methyltriazolo[4,5-b]pyridine?
The canonical SMILES for 7-bromo-3-cyclopropyl-5-methyltriazolo[4,5-b]pyridine is Cc1cc(Br)c2nnn(C3CC3)c2n1.
What is the InChIKey of 7-bromo-3-cyclopropyl-5-methyltriazolo[4,5-b]pyridine?
The InChIKey is GHHFGGUDCRROFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4/c1-5-4-7(10)8-9(11-5)14(13-12-8)6-2-3-6/h4,6H,2-3H2,1H3.
What are the key properties of 7-bromo-3-cyclopropyl-5-methyltriazolo[4,5-b]pyridine?
7-bromo-3-cyclopropyl-5-methyltriazolo[4,5-b]pyridine has a molecular weight of 253.10 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-cyclopropyl-5-methyltriazolo[4,5-b]pyridine is sourced from PubChem (CID 83843857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).