5-(4-bromo-3-methylphenoxy)tetrazolo[1,5-a]pyrazine

C11H8BrN5O — CID 83140613

IUPAC5-(4-bromo-3-methylphenoxy)tetrazolo[1,5-a]pyrazine
SMILESCc1cc(Oc2cncc3nnnn23)ccc1Br
InChIInChI=1S/C11H8BrN5O/c1-7-4-8(2-3-9(7)12)18-11-6-13-5-10-14-15-16-17(10)11/h2-6H,1H3
InChIKeyFXNDRTXKDOXUGS-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.38
Rot. Bonds2

About 5-(4-bromo-3-methylphenoxy)tetrazolo[1,5-a]pyrazine

5-(4-bromo-3-methylphenoxy)tetrazolo[1,5-a]pyrazine (PubChem CID 83140613) has the molecular formula C11H8BrN5O and a molecular weight of 306.12 g/mol. Its IUPAC name is 5-(4-bromo-3-methylphenoxy)tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-(4-bromo-3-methylphenoxy)tetrazolo[1,5-a]pyrazine
PubChem CID83140613
Molecular FormulaC11H8BrN5O
Molecular Weight306.12 g/mol
Exact Mass304.99
IUPAC Name5-(4-bromo-3-methylphenoxy)tetrazolo[1,5-a]pyrazine
SMILESCc1cc(Oc2cncc3nnnn23)ccc1Br
InChIInChI=1S/C11H8BrN5O/c1-7-4-8(2-3-9(7)12)18-11-6-13-5-10-14-15-16-17(10)11/h2-6H,1H3
InChIKeyFXNDRTXKDOXUGS-UHFFFAOYSA-N
XLogP2.38
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline
CID 114417709
3-(4-bromo-3-methylphenoxy)-5-methylpyridazine
CID 106549380
2-amino-3-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenol
CID 137013323
2-(4-bromo-3-methylphenoxy)-5-methylpyridine
CID 83141020
5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine
CID 83134763
2-(4-bromo-3-methylphenoxy)-5-chloropyridine
CID 83132873
1-(4-bromo-3-methylphenoxy)phthalazine
CID 83141017
4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine
CID 83132767
2-(4-bromo-3-methylphenoxy)-3-methylpyridine
CID 83139867
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine
CID 81334328
2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine
CID 83140189
6-(4-bromo-3-methylphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 83133375

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-methylphenoxy)tetrazolo[1,5-a]pyrazine?
The IUPAC name of 5-(4-bromo-3-methylphenoxy)tetrazolo[1,5-a]pyrazine (CID 83140613) is 5-(4-bromo-3-methylphenoxy)tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-(4-bromo-3-methylphenoxy)tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-(4-bromo-3-methylphenoxy)tetrazolo[1,5-a]pyrazine is Cc1cc(Oc2cncc3nnnn23)ccc1Br.
What is the InChIKey of 5-(4-bromo-3-methylphenoxy)tetrazolo[1,5-a]pyrazine?
The InChIKey is FXNDRTXKDOXUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5O/c1-7-4-8(2-3-9(7)12)18-11-6-13-5-10-14-15-16-17(10)11/h2-6H,1H3.
What are the key properties of 5-(4-bromo-3-methylphenoxy)tetrazolo[1,5-a]pyrazine?
5-(4-bromo-3-methylphenoxy)tetrazolo[1,5-a]pyrazine has a molecular weight of 306.12 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-methylphenoxy)tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 83140613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).