3-(2,5-dibromothiophen-3-yl)-4-(2-methylpropyl)-1,2,4-triazole

C10H11Br2N3S — CID 107967389

IUPAC3-(2,5-dibromothiophen-3-yl)-4-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cn1cnnc1-c1cc(Br)sc1Br
InChIInChI=1S/C10H11Br2N3S/c1-6(2)4-15-5-13-14-10(15)7-3-8(11)16-9(7)12/h3,5-6H,4H2,1-2H3
InChIKeyOQSFUIQDMFWQAT-UHFFFAOYSA-N
MW365.09 g/mol
LogP4.19
Rot. Bonds3

About 3-(2,5-dibromothiophen-3-yl)-4-(2-methylpropyl)-1,2,4-triazole

3-(2,5-dibromothiophen-3-yl)-4-(2-methylpropyl)-1,2,4-triazole (PubChem CID 107967389) has the molecular formula C10H11Br2N3S and a molecular weight of 365.09 g/mol. Its IUPAC name is 3-(2,5-dibromothiophen-3-yl)-4-(2-methylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,5-dibromothiophen-3-yl)-4-(2-methylpropyl)-1,2,4-triazole
PubChem CID107967389
Molecular FormulaC10H11Br2N3S
Molecular Weight365.09 g/mol
Exact Mass362.90
IUPAC Name3-(2,5-dibromothiophen-3-yl)-4-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cn1cnnc1-c1cc(Br)sc1Br
InChIInChI=1S/C10H11Br2N3S/c1-6(2)4-15-5-13-14-10(15)7-3-8(11)16-9(7)12/h3,5-6H,4H2,1-2H3
InChIKeyOQSFUIQDMFWQAT-UHFFFAOYSA-N
XLogP4.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.09
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113403238
3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine
CID 104673238
3-(4-bromophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395668
4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole
CID 115395669
4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole
CID 115395542
4-fluoro-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]aniline
CID 62711248
3-(2-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113301449
4,5-dimethyl-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]thiophen-2-amine
CID 62711251
3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113301392
3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole
CID 107976153
3-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395609
3-(2,3-difluorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395501

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dibromothiophen-3-yl)-4-(2-methylpropyl)-1,2,4-triazole?
The IUPAC name of 3-(2,5-dibromothiophen-3-yl)-4-(2-methylpropyl)-1,2,4-triazole (CID 107967389) is 3-(2,5-dibromothiophen-3-yl)-4-(2-methylpropyl)-1,2,4-triazole.
What is the SMILES notation for 3-(2,5-dibromothiophen-3-yl)-4-(2-methylpropyl)-1,2,4-triazole?
The canonical SMILES for 3-(2,5-dibromothiophen-3-yl)-4-(2-methylpropyl)-1,2,4-triazole is CC(C)Cn1cnnc1-c1cc(Br)sc1Br.
What is the InChIKey of 3-(2,5-dibromothiophen-3-yl)-4-(2-methylpropyl)-1,2,4-triazole?
The InChIKey is OQSFUIQDMFWQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N3S/c1-6(2)4-15-5-13-14-10(15)7-3-8(11)16-9(7)12/h3,5-6H,4H2,1-2H3.
What are the key properties of 3-(2,5-dibromothiophen-3-yl)-4-(2-methylpropyl)-1,2,4-triazole?
3-(2,5-dibromothiophen-3-yl)-4-(2-methylpropyl)-1,2,4-triazole has a molecular weight of 365.09 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dibromothiophen-3-yl)-4-(2-methylpropyl)-1,2,4-triazole is sourced from PubChem (CID 107967389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).