trimethyl-[2-(2-methyltetrazol-5-yl)ethyl]azanium

C7H16N5+ — CID 915091

IUPACtrimethyl-[2-(2-methyltetrazol-5-yl)ethyl]azanium
SMILESCn1nnc(CC[N+](C)(C)C)n1
InChIInChI=1S/C7H16N5/c1-11-9-7(8-10-11)5-6-12(2,3)4/h5-6H2,1-4H3/q+1
InChIKeyPXVAZGIIJFOOEH-UHFFFAOYSA-N
MW170.24 g/mol
LogP-0.54
Rot. Bonds3

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

trimethyl-[2-(2-methyltetrazol-5-yl)ethyl]azanium (PubChem CID 915091) has the molecular formula C7H16N5+ and a molecular weight of 170.24 g/mol. Its IUPAC name is trimethyl-[2-(2-methyltetrazol-5-yl)ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(2-methyltetrazol-5-yl)ethyl]azanium
PubChem CID915091
Molecular FormulaC7H16N5+
Molecular Weight170.24 g/mol
Exact Mass170.14
IUPAC Nametrimethyl-[2-(2-methyltetrazol-5-yl)ethyl]azanium
SMILESCn1nnc(CC[N+](C)(C)C)n1
InChIInChI=1S/C7H16N5/c1-11-9-7(8-10-11)5-6-12(2,3)4/h5-6H2,1-4H3/q+1
InChIKeyPXVAZGIIJFOOEH-UHFFFAOYSA-N
XLogP-0.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-methyltetrazol-5-yl)ethyl]azanium?
The IUPAC name of trimethyl-[2-(2-methyltetrazol-5-yl)ethyl]azanium (CID 915091) is trimethyl-[2-(2-methyltetrazol-5-yl)ethyl]azanium.
What is the SMILES notation for trimethyl-[2-(2-methyltetrazol-5-yl)ethyl]azanium?
The canonical SMILES for trimethyl-[2-(2-methyltetrazol-5-yl)ethyl]azanium is Cn1nnc(CC[N+](C)(C)C)n1.
What is the InChIKey of trimethyl-[2-(2-methyltetrazol-5-yl)ethyl]azanium?
The InChIKey is PXVAZGIIJFOOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N5/c1-11-9-7(8-10-11)5-6-12(2,3)4/h5-6H2,1-4H3/q+1.
What are the key properties of trimethyl-[2-(2-methyltetrazol-5-yl)ethyl]azanium?
trimethyl-[2-(2-methyltetrazol-5-yl)ethyl]azanium has a molecular weight of 170.24 g/mol, XLogP of -0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2-methyltetrazol-5-yl)ethyl]azanium is sourced from PubChem (CID 915091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).