3-bromo-4-(4-ethyl-1,2,4-triazol-3-yl)pyridine

C9H9BrN4 — CID 130933848

IUPAC3-bromo-4-(4-ethyl-1,2,4-triazol-3-yl)pyridine
SMILESCCn1cnnc1-c1ccncc1Br
InChIInChI=1S/C9H9BrN4/c1-2-14-6-12-13-9(14)7-3-4-11-5-8(7)10/h3-6H,2H2,1H3
InChIKeyPDTPQTNEFJPZLD-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.12
Rot. Bonds2

About 3-bromo-4-(4-ethyl-1,2,4-triazol-3-yl)pyridine

3-bromo-4-(4-ethyl-1,2,4-triazol-3-yl)pyridine (PubChem CID 130933848) has the molecular formula C9H9BrN4 and a molecular weight of 253.10 g/mol. Its IUPAC name is 3-bromo-4-(4-ethyl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name3-bromo-4-(4-ethyl-1,2,4-triazol-3-yl)pyridine
PubChem CID130933848
Molecular FormulaC9H9BrN4
Molecular Weight253.10 g/mol
Exact Mass252.00
IUPAC Name3-bromo-4-(4-ethyl-1,2,4-triazol-3-yl)pyridine
SMILESCCn1cnnc1-c1ccncc1Br
InChIInChI=1S/C9H9BrN4/c1-2-14-6-12-13-9(14)7-3-4-11-5-8(7)10/h3-6H,2H2,1H3
InChIKeyPDTPQTNEFJPZLD-UHFFFAOYSA-N
XLogP2.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole
CID 107954691
4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole
CID 115394918
3-bromo-4-(3-methyl-1,2,4-triazol-4-yl)pyridine
CID 90199424
3-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazole
CID 115394687
4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole
CID 114088311
3-(4-ethyl-1,2,4-triazol-3-yl)-5-methylpyridine
CID 115394647
3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline
CID 62694280
3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole
CID 113301247
4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylaniline
CID 62693006
4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine
CID 115394759
3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole
CID 82819204
4-(4-ethyl-1,2,4-triazol-3-yl)-1,3-thiazole
CID 115394689

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-ethyl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 3-bromo-4-(4-ethyl-1,2,4-triazol-3-yl)pyridine (CID 130933848) is 3-bromo-4-(4-ethyl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 3-bromo-4-(4-ethyl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 3-bromo-4-(4-ethyl-1,2,4-triazol-3-yl)pyridine is CCn1cnnc1-c1ccncc1Br.
What is the InChIKey of 3-bromo-4-(4-ethyl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is PDTPQTNEFJPZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4/c1-2-14-6-12-13-9(14)7-3-4-11-5-8(7)10/h3-6H,2H2,1H3.
What are the key properties of 3-bromo-4-(4-ethyl-1,2,4-triazol-3-yl)pyridine?
3-bromo-4-(4-ethyl-1,2,4-triazol-3-yl)pyridine has a molecular weight of 253.10 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-ethyl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 130933848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).