7-bromo-1-butyltriazolo[4,5-c]pyridine

C9H11BrN4 — CID 112757295

IUPAC7-bromo-1-butyltriazolo[4,5-c]pyridine
SMILESCCCCn1nnc2cncc(Br)c21
InChIInChI=1S/C9H11BrN4/c1-2-3-4-14-9-7(10)5-11-6-8(9)12-13-14/h5-6H,2-4H2,1H3
InChIKeyMLDUJUSTKCNBSF-UHFFFAOYSA-N
MW255.12 g/mol
LogP2.39
Rot. Bonds3

About 7-bromo-1-butyltriazolo[4,5-c]pyridine

7-bromo-1-butyltriazolo[4,5-c]pyridine (PubChem CID 112757295) has the molecular formula C9H11BrN4 and a molecular weight of 255.12 g/mol. Its IUPAC name is 7-bromo-1-butyltriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name7-bromo-1-butyltriazolo[4,5-c]pyridine
PubChem CID112757295
Molecular FormulaC9H11BrN4
Molecular Weight255.12 g/mol
Exact Mass254.02
IUPAC Name7-bromo-1-butyltriazolo[4,5-c]pyridine
SMILESCCCCn1nnc2cncc(Br)c21
InChIInChI=1S/C9H11BrN4/c1-2-3-4-14-9-7(10)5-11-6-8(9)12-13-14/h5-6H,2-4H2,1H3
InChIKeyMLDUJUSTKCNBSF-UHFFFAOYSA-N
XLogP2.39
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-3-propyltriazolo[4,5-c]pyridine
CID 112757290
1,5,6,7-tetrabutyl-4-methylbenzotriazole
CID 174823154
4,5-dibromo-2-butylpyridazin-3-one
CID 10828722
[5-(2-bromophenyl)-1-butyltriazol-4-yl]methanol
CID 94943947
5-bromo-1-hexyl-4-propan-2-yltriazole
CID 69387210
5-bromo-1-butyl-4-(2,2-dimethylpropyl)triazole
CID 69382583
1-tridecylbenzotriazole
CID 21059042
1-butyl-4,5-difluorotriazole
CID 69383142
1-methyltriazolo[4,5-c]pyridin-7-amine;dihydrochloride
CID 167739027
silver 1-octylbenzotriazole
CID 19818350
ethyl 4-bromo-1-butylpyrazole-5-carboxylate
CID 122171224
1-butyl-4-ethyl-5-methyltriazole
CID 69384801

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-butyltriazolo[4,5-c]pyridine?
The IUPAC name of 7-bromo-1-butyltriazolo[4,5-c]pyridine (CID 112757295) is 7-bromo-1-butyltriazolo[4,5-c]pyridine.
What is the SMILES notation for 7-bromo-1-butyltriazolo[4,5-c]pyridine?
The canonical SMILES for 7-bromo-1-butyltriazolo[4,5-c]pyridine is CCCCn1nnc2cncc(Br)c21.
What is the InChIKey of 7-bromo-1-butyltriazolo[4,5-c]pyridine?
The InChIKey is MLDUJUSTKCNBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4/c1-2-3-4-14-9-7(10)5-11-6-8(9)12-13-14/h5-6H,2-4H2,1H3.
What are the key properties of 7-bromo-1-butyltriazolo[4,5-c]pyridine?
7-bromo-1-butyltriazolo[4,5-c]pyridine has a molecular weight of 255.12 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-butyltriazolo[4,5-c]pyridine is sourced from PubChem (CID 112757295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).