3-(5-bromothiophen-2-yl)-4-propyl-1,2,4-triazole

C9H10BrN3S — CID 115395179

IUPAC3-(5-bromothiophen-2-yl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1ccc(Br)s1
InChIInChI=1S/C9H10BrN3S/c1-2-5-13-6-11-12-9(13)7-3-4-8(10)14-7/h3-4,6H,2,5H2,1H3
InChIKeyHWZFLTRXMCAXEF-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.18
Rot. Bonds3

About 3-(5-bromothiophen-2-yl)-4-propyl-1,2,4-triazole

3-(5-bromothiophen-2-yl)-4-propyl-1,2,4-triazole (PubChem CID 115395179) has the molecular formula C9H10BrN3S and a molecular weight of 272.17 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-4-propyl-1,2,4-triazole
PubChem CID115395179
Molecular FormulaC9H10BrN3S
Molecular Weight272.17 g/mol
Exact Mass270.98
IUPAC Name3-(5-bromothiophen-2-yl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1ccc(Br)s1
InChIInChI=1S/C9H10BrN3S/c1-2-5-13-6-11-12-9(13)7-3-4-8(10)14-7/h3-4,6H,2,5H2,1H3
InChIKeyHWZFLTRXMCAXEF-UHFFFAOYSA-N
XLogP3.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393561
3-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazole
CID 115394687
3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole
CID 115395002
3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393550
3-(2,3,4,5,6-pentafluorophenyl)-4-propyl-1,2,4-triazole
CID 115395009
3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole
CID 115395141
5-methyl-3-(4-propyl-1,2,4-triazol-3-yl)thiophen-2-amine
CID 63619258
4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole
CID 115395669
2-(4-propyl-1,2,4-triazol-3-yl)pyridine
CID 115394967
3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole
CID 113301287
3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole
CID 115395259
3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395074

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-4-propyl-1,2,4-triazole?
The IUPAC name of 3-(5-bromothiophen-2-yl)-4-propyl-1,2,4-triazole (CID 115395179) is 3-(5-bromothiophen-2-yl)-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-4-propyl-1,2,4-triazole is CCCn1cnnc1-c1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-4-propyl-1,2,4-triazole?
The InChIKey is HWZFLTRXMCAXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3S/c1-2-5-13-6-11-12-9(13)7-3-4-8(10)14-7/h3-4,6H,2,5H2,1H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-4-propyl-1,2,4-triazole?
3-(5-bromothiophen-2-yl)-4-propyl-1,2,4-triazole has a molecular weight of 272.17 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-4-propyl-1,2,4-triazole is sourced from PubChem (CID 115395179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).