2-(2H-tetrazol-5-yl)ethanamine;hydrochloride

C3H8ClN5 — CID 19938442

IUPAC2-(2H-tetrazol-5-yl)ethanamine;hydrochloride
SMILESCl.NCCc1nn[nH]n1
InChIInChI=1S/C3H7N5.ClH/c4-2-1-3-5-7-8-6-3;/h1-2,4H2,(H,5,6,7,8);1H
InChIKeyWMHQLIKURWWBAO-UHFFFAOYSA-N
MW149.59 g/mol
LogP-0.88
Rot. Bonds2

About 2-(2H-tetrazol-5-yl)ethanamine;hydrochloride

2-(2H-tetrazol-5-yl)ethanamine;hydrochloride (PubChem CID 19938442) has the molecular formula C3H8ClN5 and a molecular weight of 149.59 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)ethanamine;hydrochloride
PubChem CID19938442
Molecular FormulaC3H8ClN5
Molecular Weight149.59 g/mol
Exact Mass149.05
IUPAC Name2-(2H-tetrazol-5-yl)ethanamine;hydrochloride
SMILESCl.NCCc1nn[nH]n1
InChIInChI=1S/C3H7N5.ClH/c4-2-1-3-5-7-8-6-3;/h1-2,4H2,(H,5,6,7,8);1H
InChIKeyWMHQLIKURWWBAO-UHFFFAOYSA-N
XLogP-0.88
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.59
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(2H-tetrazol-5-yl)ethanamine;hydrochloride (CID 19938442) is 2-(2H-tetrazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2H-tetrazol-5-yl)ethanamine;hydrochloride is Cl.NCCc1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)ethanamine;hydrochloride?
The InChIKey is WMHQLIKURWWBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5.ClH/c4-2-1-3-5-7-8-6-3;/h1-2,4H2,(H,5,6,7,8);1H.
What are the key properties of 2-(2H-tetrazol-5-yl)ethanamine;hydrochloride?
2-(2H-tetrazol-5-yl)ethanamine;hydrochloride has a molecular weight of 149.59 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 19938442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).