1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride

C4H10ClN5 — CID 77200970

IUPAC1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride
SMILESCCC(N)c1nn[nH]n1.Cl
InChIInChI=1S/C4H9N5.ClH/c1-2-3(5)4-6-8-9-7-4;/h3H,2,5H2,1H3,(H,6,7,8,9);1H
InChIKeyJOZMJCYEUCCIIG-UHFFFAOYSA-N
MW163.61 g/mol
LogP0.03
Rot. Bonds2

About 1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride

1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride (PubChem CID 77200970) has the molecular formula C4H10ClN5 and a molecular weight of 163.61 g/mol. Its IUPAC name is 1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride
PubChem CID77200970
Molecular FormulaC4H10ClN5
Molecular Weight163.61 g/mol
Exact Mass163.06
IUPAC Name1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride
SMILESCCC(N)c1nn[nH]n1.Cl
InChIInChI=1S/C4H9N5.ClH/c1-2-3(5)4-6-8-9-7-4;/h3H,2,5H2,1H3,(H,6,7,8,9);1H
InChIKeyJOZMJCYEUCCIIG-UHFFFAOYSA-N
XLogP0.03
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.61
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride?
The IUPAC name of 1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride (CID 77200970) is 1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride is CCC(N)c1nn[nH]n1.Cl.
What is the InChIKey of 1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride?
The InChIKey is JOZMJCYEUCCIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5.ClH/c1-2-3(5)4-6-8-9-7-4;/h3H,2,5H2,1H3,(H,6,7,8,9);1H.
What are the key properties of 1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride?
1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride has a molecular weight of 163.61 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 77200970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).