2-(tetrazol-1-yl)ethanamine;hydrochloride

C3H8ClN5 — CID 71756171

IUPAC2-(tetrazol-1-yl)ethanamine;hydrochloride
SMILESCl.NCCn1cnnn1
InChIInChI=1S/C3H7N5.ClH/c4-1-2-8-3-5-6-7-8;/h3H,1-2,4H2;1H
InChIKeyDYJMNFXIVFKFNZ-UHFFFAOYSA-N
MW149.59 g/mol
LogP-0.95
Rot. Bonds2

About 2-(tetrazol-1-yl)ethanamine;hydrochloride

2-(tetrazol-1-yl)ethanamine;hydrochloride (PubChem CID 71756171) has the molecular formula C3H8ClN5 and a molecular weight of 149.59 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(tetrazol-1-yl)ethanamine;hydrochloride
PubChem CID71756171
Molecular FormulaC3H8ClN5
Molecular Weight149.59 g/mol
Exact Mass149.05
IUPAC Name2-(tetrazol-1-yl)ethanamine;hydrochloride
SMILESCl.NCCn1cnnn1
InChIInChI=1S/C3H7N5.ClH/c4-1-2-8-3-5-6-7-8;/h3H,1-2,4H2;1H
InChIKeyDYJMNFXIVFKFNZ-UHFFFAOYSA-N
XLogP-0.95
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.59
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(tetrazol-1-yl)ethanamine;hydrochloride (CID 71756171) is 2-(tetrazol-1-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(tetrazol-1-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(tetrazol-1-yl)ethanamine;hydrochloride is Cl.NCCn1cnnn1.
What is the InChIKey of 2-(tetrazol-1-yl)ethanamine;hydrochloride?
The InChIKey is DYJMNFXIVFKFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5.ClH/c4-1-2-8-3-5-6-7-8;/h3H,1-2,4H2;1H.
What are the key properties of 2-(tetrazol-1-yl)ethanamine;hydrochloride?
2-(tetrazol-1-yl)ethanamine;hydrochloride has a molecular weight of 149.59 g/mol, XLogP of -0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)ethanamine;hydrochloride is sourced from PubChem (CID 71756171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).