2-bromo-5-(5-propan-2-yl-1,2,4-triazol-1-yl)pyrazine

C9H10BrN5 — CID 178047135

IUPAC2-bromo-5-(5-propan-2-yl-1,2,4-triazol-1-yl)pyrazine
SMILESCC(C)c1ncnn1-c1cnc(Br)cn1
InChIInChI=1S/C9H10BrN5/c1-6(2)9-13-5-14-15(9)8-4-11-7(10)3-12-8/h3-6H,1-2H3
InChIKeyNSAGPYQFSVLXAN-UHFFFAOYSA-N
MW268.12 g/mol
LogP1.94
Rot. Bonds2

About 2-bromo-5-(5-propan-2-yl-1,2,4-triazol-1-yl)pyrazine

2-bromo-5-(5-propan-2-yl-1,2,4-triazol-1-yl)pyrazine (PubChem CID 178047135) has the molecular formula C9H10BrN5 and a molecular weight of 268.12 g/mol. Its IUPAC name is 2-bromo-5-(5-propan-2-yl-1,2,4-triazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-bromo-5-(5-propan-2-yl-1,2,4-triazol-1-yl)pyrazine
PubChem CID178047135
Molecular FormulaC9H10BrN5
Molecular Weight268.12 g/mol
Exact Mass267.01
IUPAC Name2-bromo-5-(5-propan-2-yl-1,2,4-triazol-1-yl)pyrazine
SMILESCC(C)c1ncnn1-c1cnc(Br)cn1
InChIInChI=1S/C9H10BrN5/c1-6(2)9-13-5-14-15(9)8-4-11-7(10)3-12-8/h3-6H,1-2H3
InChIKeyNSAGPYQFSVLXAN-UHFFFAOYSA-N
XLogP1.94
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine
CID 166878634
3-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,2-thiazole
CID 166542000
(1S)-1-[2-(5-iodo-2-pyridinyl)-1,2,4-triazol-3-yl]ethanamine
CID 167507554
6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
CID 155676495
4-(5-propan-2-yl-1,2,4-triazol-1-yl)-6-prop-1-en-2-ylpyrimidine
CID 178027940
[(1S)-1-[2-(5-bromopyrimidin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium
CID 177145728
5-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,3-thiazole-2-carbonitrile
CID 166541998
2-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,3-thiazole-5-carbonitrile
CID 164588884
2,2,2-trifluoroacetic acid;(1S)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]ethanamine
CID 175898071
5-bromo-3-methyl-2-propan-2-ylimidazo[4,5-b]pyrazine
CID 169232947
1-(1,1-difluoropropan-2-yl)-5-propan-2-yl-1,2,4-triazole
CID 157030837
6-(5-hexan-2-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile
CID 170255842

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(5-propan-2-yl-1,2,4-triazol-1-yl)pyrazine?
The IUPAC name of 2-bromo-5-(5-propan-2-yl-1,2,4-triazol-1-yl)pyrazine (CID 178047135) is 2-bromo-5-(5-propan-2-yl-1,2,4-triazol-1-yl)pyrazine.
What is the SMILES notation for 2-bromo-5-(5-propan-2-yl-1,2,4-triazol-1-yl)pyrazine?
The canonical SMILES for 2-bromo-5-(5-propan-2-yl-1,2,4-triazol-1-yl)pyrazine is CC(C)c1ncnn1-c1cnc(Br)cn1.
What is the InChIKey of 2-bromo-5-(5-propan-2-yl-1,2,4-triazol-1-yl)pyrazine?
The InChIKey is NSAGPYQFSVLXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5/c1-6(2)9-13-5-14-15(9)8-4-11-7(10)3-12-8/h3-6H,1-2H3.
What are the key properties of 2-bromo-5-(5-propan-2-yl-1,2,4-triazol-1-yl)pyrazine?
2-bromo-5-(5-propan-2-yl-1,2,4-triazol-1-yl)pyrazine has a molecular weight of 268.12 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(5-propan-2-yl-1,2,4-triazol-1-yl)pyrazine is sourced from PubChem (CID 178047135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).