2-(1-azabicyclo[3.2.1]octan-3-yl)tetrazol-5-amine;hydrochloride

C8H15ClN6 — CID 19610897

IUPAC2-(1-azabicyclo[3.2.1]octan-3-yl)tetrazol-5-amine;hydrochloride
SMILESCl.Nc1nnn(C2CC3CCN(C3)C2)n1
InChIInChI=1S/C8H14N6.ClH/c9-8-10-12-14(11-8)7-3-6-1-2-13(4-6)5-7;/h6-7H,1-5H2,(H2,9,11);1H
InChIKeyAZKFQEXFMCYKBH-UHFFFAOYSA-N
MW230.70 g/mol
LogP-0.06
Rot. Bonds1

About 2-(1-azabicyclo[3.2.1]octan-3-yl)tetrazol-5-amine;hydrochloride

2-(1-azabicyclo[3.2.1]octan-3-yl)tetrazol-5-amine;hydrochloride (PubChem CID 19610897) has the molecular formula C8H15ClN6 and a molecular weight of 230.70 g/mol. Its IUPAC name is 2-(1-azabicyclo[3.2.1]octan-3-yl)tetrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name2-(1-azabicyclo[3.2.1]octan-3-yl)tetrazol-5-amine;hydrochloride
PubChem CID19610897
Molecular FormulaC8H15ClN6
Molecular Weight230.70 g/mol
Exact Mass230.10
IUPAC Name2-(1-azabicyclo[3.2.1]octan-3-yl)tetrazol-5-amine;hydrochloride
SMILESCl.Nc1nnn(C2CC3CCN(C3)C2)n1
InChIInChI=1S/C8H14N6.ClH/c9-8-10-12-14(11-8)7-3-6-1-2-13(4-6)5-7;/h6-7H,1-5H2,(H2,9,11);1H
InChIKeyAZKFQEXFMCYKBH-UHFFFAOYSA-N
XLogP-0.06
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[3.2.1]octan-3-yl)tetrazol-5-amine;hydrochloride?
The IUPAC name of 2-(1-azabicyclo[3.2.1]octan-3-yl)tetrazol-5-amine;hydrochloride (CID 19610897) is 2-(1-azabicyclo[3.2.1]octan-3-yl)tetrazol-5-amine;hydrochloride.
What is the SMILES notation for 2-(1-azabicyclo[3.2.1]octan-3-yl)tetrazol-5-amine;hydrochloride?
The canonical SMILES for 2-(1-azabicyclo[3.2.1]octan-3-yl)tetrazol-5-amine;hydrochloride is Cl.Nc1nnn(C2CC3CCN(C3)C2)n1.
What is the InChIKey of 2-(1-azabicyclo[3.2.1]octan-3-yl)tetrazol-5-amine;hydrochloride?
The InChIKey is AZKFQEXFMCYKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6.ClH/c9-8-10-12-14(11-8)7-3-6-1-2-13(4-6)5-7;/h6-7H,1-5H2,(H2,9,11);1H.
What are the key properties of 2-(1-azabicyclo[3.2.1]octan-3-yl)tetrazol-5-amine;hydrochloride?
2-(1-azabicyclo[3.2.1]octan-3-yl)tetrazol-5-amine;hydrochloride has a molecular weight of 230.70 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[3.2.1]octan-3-yl)tetrazol-5-amine;hydrochloride is sourced from PubChem (CID 19610897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).