trimethyl-[2-(2H-tetrazol-5-yl)ethyl]azanium

C6H14N5+ — CID 58954719

IUPACtrimethyl-[2-(2H-tetrazol-5-yl)ethyl]azanium
SMILESC[N+](C)(C)CCc1nn[nH]n1
InChIInChI=1S/C6H14N5/c1-11(2,3)5-4-6-7-9-10-8-6/h4-5H2,1-3H3,(H,7,8,9,10)/q+1
InChIKeyVFAPGVPXCOPEIC-UHFFFAOYSA-N
MW156.21 g/mol
LogP-0.55
Rot. Bonds3

About trimethyl-[2-(2H-tetrazol-5-yl)ethyl]azanium

trimethyl-[2-(2H-tetrazol-5-yl)ethyl]azanium (PubChem CID 58954719) has the molecular formula C6H14N5+ and a molecular weight of 156.21 g/mol. Its IUPAC name is trimethyl-[2-(2H-tetrazol-5-yl)ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(2H-tetrazol-5-yl)ethyl]azanium
PubChem CID58954719
Molecular FormulaC6H14N5+
Molecular Weight156.21 g/mol
Exact Mass156.12
IUPAC Nametrimethyl-[2-(2H-tetrazol-5-yl)ethyl]azanium
SMILESC[N+](C)(C)CCc1nn[nH]n1
InChIInChI=1S/C6H14N5/c1-11(2,3)5-4-6-7-9-10-8-6/h4-5H2,1-3H3,(H,7,8,9,10)/q+1
InChIKeyVFAPGVPXCOPEIC-UHFFFAOYSA-N
XLogP-0.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(2H-tetrazol-5-yl)ethyl]azanium?
The IUPAC name of trimethyl-[2-(2H-tetrazol-5-yl)ethyl]azanium (CID 58954719) is trimethyl-[2-(2H-tetrazol-5-yl)ethyl]azanium.
What is the SMILES notation for trimethyl-[2-(2H-tetrazol-5-yl)ethyl]azanium?
The canonical SMILES for trimethyl-[2-(2H-tetrazol-5-yl)ethyl]azanium is C[N+](C)(C)CCc1nn[nH]n1.
What is the InChIKey of trimethyl-[2-(2H-tetrazol-5-yl)ethyl]azanium?
The InChIKey is VFAPGVPXCOPEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N5/c1-11(2,3)5-4-6-7-9-10-8-6/h4-5H2,1-3H3,(H,7,8,9,10)/q+1.
What are the key properties of trimethyl-[2-(2H-tetrazol-5-yl)ethyl]azanium?
trimethyl-[2-(2H-tetrazol-5-yl)ethyl]azanium has a molecular weight of 156.21 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2H-tetrazol-5-yl)ethyl]azanium is sourced from PubChem (CID 58954719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).