3-pyrazin-2-ylpropan-1-amine;hydrochloride

C7H12ClN3 — CID 71756777

IUPAC3-pyrazin-2-ylpropan-1-amine;hydrochloride
SMILESCl.NCCCc1cnccn1
InChIInChI=1S/C7H11N3.ClH/c8-3-1-2-7-6-9-4-5-10-7;/h4-6H,1-3,8H2;1H
InChIKeyQHXHJSMEOOCWKN-UHFFFAOYSA-N
MW173.65 g/mol
LogP0.79
Rot. Bonds3

About 3-pyrazin-2-ylpropan-1-amine;hydrochloride

3-pyrazin-2-ylpropan-1-amine;hydrochloride (PubChem CID 71756777) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is 3-pyrazin-2-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-pyrazin-2-ylpropan-1-amine;hydrochloride
PubChem CID71756777
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name3-pyrazin-2-ylpropan-1-amine;hydrochloride
SMILESCl.NCCCc1cnccn1
InChIInChI=1S/C7H11N3.ClH/c8-3-1-2-7-6-9-4-5-10-7;/h4-6H,1-3,8H2;1H
InChIKeyQHXHJSMEOOCWKN-UHFFFAOYSA-N
XLogP0.79
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-ylpropan-1-amine;hydrochloride?
The IUPAC name of 3-pyrazin-2-ylpropan-1-amine;hydrochloride (CID 71756777) is 3-pyrazin-2-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-pyrazin-2-ylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-pyrazin-2-ylpropan-1-amine;hydrochloride is Cl.NCCCc1cnccn1.
What is the InChIKey of 3-pyrazin-2-ylpropan-1-amine;hydrochloride?
The InChIKey is QHXHJSMEOOCWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.ClH/c8-3-1-2-7-6-9-4-5-10-7;/h4-6H,1-3,8H2;1H.
What are the key properties of 3-pyrazin-2-ylpropan-1-amine;hydrochloride?
3-pyrazin-2-ylpropan-1-amine;hydrochloride has a molecular weight of 173.65 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 71756777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).