tris(2H-tetrazole);dihydrobromide

C3H8Br2N12 — CID 174535995

IUPACtris(2H-tetrazole);dihydrobromide
SMILESBr.Br.c1nn[nH]n1.c1nn[nH]n1.c1nn[nH]n1
InChIInChI=1S/3CH2N4.2BrH/c3*1-2-4-5-3-1;;/h3*1H,(H,2,3,4,5);2*1H
InChIKeyIJECOECTOZATLB-UHFFFAOYSA-N
MW371.99 g/mol
LogP-1.25
Rot. Bonds

About tris(2H-tetrazole);dihydrobromide

tris(2H-tetrazole);dihydrobromide (PubChem CID 174535995) has the molecular formula C3H8Br2N12 and a molecular weight of 371.99 g/mol. Its IUPAC name is tris(2H-tetrazole);dihydrobromide.

Molecular Properties

Compound Nametris(2H-tetrazole);dihydrobromide
PubChem CID174535995
Molecular FormulaC3H8Br2N12
Molecular Weight371.99 g/mol
Exact Mass369.94
IUPAC Nametris(2H-tetrazole);dihydrobromide
SMILESBr.Br.c1nn[nH]n1.c1nn[nH]n1.c1nn[nH]n1
InChIInChI=1S/3CH2N4.2BrH/c3*1-2-4-5-3-1;;/h3*1H,(H,2,3,4,5);2*1H
InChIKeyIJECOECTOZATLB-UHFFFAOYSA-N
XLogP-1.25
TPSA163.38 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.99
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tris(2H-tetrazole);dihydrobromide?
The IUPAC name of tris(2H-tetrazole);dihydrobromide (CID 174535995) is tris(2H-tetrazole);dihydrobromide.
What is the SMILES notation for tris(2H-tetrazole);dihydrobromide?
The canonical SMILES for tris(2H-tetrazole);dihydrobromide is Br.Br.c1nn[nH]n1.c1nn[nH]n1.c1nn[nH]n1.
What is the InChIKey of tris(2H-tetrazole);dihydrobromide?
The InChIKey is IJECOECTOZATLB-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH2N4.2BrH/c3*1-2-4-5-3-1;;/h3*1H,(H,2,3,4,5);2*1H.
What are the key properties of tris(2H-tetrazole);dihydrobromide?
tris(2H-tetrazole);dihydrobromide has a molecular weight of 371.99 g/mol, XLogP of -1.25, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2H-tetrazole);dihydrobromide is sourced from PubChem (CID 174535995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).