5-(azetidin-3-yl)-2H-tetrazole;hydrochloride

C4H8ClN5 — CID 67092019

IUPAC5-(azetidin-3-yl)-2H-tetrazole;hydrochloride
SMILESC1NCC1c1nn[nH]n1.Cl
InChIInChI=1S/C4H7N5.ClH/c1-3(2-5-1)4-6-8-9-7-4;/h3,5H,1-2H2,(H,6,7,8,9);1H
InChIKeySAFRKXFADKMSGB-UHFFFAOYSA-N
MW161.60 g/mol
LogP-0.69
Rot. Bonds1

About 5-(azetidin-3-yl)-2H-tetrazole;hydrochloride

5-(azetidin-3-yl)-2H-tetrazole;hydrochloride (PubChem CID 67092019) has the molecular formula C4H8ClN5 and a molecular weight of 161.60 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-2H-tetrazole;hydrochloride.

Molecular Properties

Compound Name5-(azetidin-3-yl)-2H-tetrazole;hydrochloride
PubChem CID67092019
Molecular FormulaC4H8ClN5
Molecular Weight161.60 g/mol
Exact Mass161.05
IUPAC Name5-(azetidin-3-yl)-2H-tetrazole;hydrochloride
SMILESC1NCC1c1nn[nH]n1.Cl
InChIInChI=1S/C4H7N5.ClH/c1-3(2-5-1)4-6-8-9-7-4;/h3,5H,1-2H2,(H,6,7,8,9);1H
InChIKeySAFRKXFADKMSGB-UHFFFAOYSA-N
XLogP-0.69
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.60
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-2H-tetrazole;hydrochloride?
The IUPAC name of 5-(azetidin-3-yl)-2H-tetrazole;hydrochloride (CID 67092019) is 5-(azetidin-3-yl)-2H-tetrazole;hydrochloride.
What is the SMILES notation for 5-(azetidin-3-yl)-2H-tetrazole;hydrochloride?
The canonical SMILES for 5-(azetidin-3-yl)-2H-tetrazole;hydrochloride is C1NCC1c1nn[nH]n1.Cl.
What is the InChIKey of 5-(azetidin-3-yl)-2H-tetrazole;hydrochloride?
The InChIKey is SAFRKXFADKMSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5.ClH/c1-3(2-5-1)4-6-8-9-7-4;/h3,5H,1-2H2,(H,6,7,8,9);1H.
What are the key properties of 5-(azetidin-3-yl)-2H-tetrazole;hydrochloride?
5-(azetidin-3-yl)-2H-tetrazole;hydrochloride has a molecular weight of 161.60 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-2H-tetrazole;hydrochloride is sourced from PubChem (CID 67092019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).