azane;2H-tetrazole;hydrobromide

CH6BrN5 — CID 174552707

IUPACazane;2H-tetrazole;hydrobromide
SMILESBr.N.c1nn[nH]n1
InChIInChI=1S/CH2N4.BrH.H3N/c1-2-4-5-3-1;;/h1H,(H,2,3,4,5);1H;1H3
InChIKeyRMXNPTFEDADILK-UHFFFAOYSA-N
MW168.00 g/mol
LogP-0.06
Rot. Bonds

About azane;2H-tetrazole;hydrobromide

azane;2H-tetrazole;hydrobromide (PubChem CID 174552707) has the molecular formula CH6BrN5 and a molecular weight of 168.00 g/mol. Its IUPAC name is azane;2H-tetrazole;hydrobromide.

Molecular Properties

Compound Nameazane;2H-tetrazole;hydrobromide
PubChem CID174552707
Molecular FormulaCH6BrN5
Molecular Weight168.00 g/mol
Exact Mass166.98
IUPAC Nameazane;2H-tetrazole;hydrobromide
SMILESBr.N.c1nn[nH]n1
InChIInChI=1S/CH2N4.BrH.H3N/c1-2-4-5-3-1;;/h1H,(H,2,3,4,5);1H;1H3
InChIKeyRMXNPTFEDADILK-UHFFFAOYSA-N
XLogP-0.06
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.00
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;2H-tetrazole;hydrobromide?
The IUPAC name of azane;2H-tetrazole;hydrobromide (CID 174552707) is azane;2H-tetrazole;hydrobromide.
What is the SMILES notation for azane;2H-tetrazole;hydrobromide?
The canonical SMILES for azane;2H-tetrazole;hydrobromide is Br.N.c1nn[nH]n1.
What is the InChIKey of azane;2H-tetrazole;hydrobromide?
The InChIKey is RMXNPTFEDADILK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N4.BrH.H3N/c1-2-4-5-3-1;;/h1H,(H,2,3,4,5);1H;1H3.
What are the key properties of azane;2H-tetrazole;hydrobromide?
azane;2H-tetrazole;hydrobromide has a molecular weight of 168.00 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2H-tetrazole;hydrobromide is sourced from PubChem (CID 174552707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).