3-(3-aminopiperidin-1-yl)-1H-pyrazin-2-one;dihydrochloride

C9H16Cl2N4O — CID 86811806

IUPAC3-(3-aminopiperidin-1-yl)-1H-pyrazin-2-one;dihydrochloride
SMILESCl.Cl.NC1CCCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C9H14N4O.2ClH/c10-7-2-1-5-13(6-7)8-9(14)12-4-3-11-8;;/h3-4,7H,1-2,5-6,10H2,(H,12,14);2*1H
InChIKeyRGAUIMRTVUCLPZ-UHFFFAOYSA-N
MW267.16 g/mol
LogP0.54
Rot. Bonds1

About 3-(3-aminopiperidin-1-yl)-1H-pyrazin-2-one;dihydrochloride

3-(3-aminopiperidin-1-yl)-1H-pyrazin-2-one;dihydrochloride (PubChem CID 86811806) has the molecular formula C9H16Cl2N4O and a molecular weight of 267.16 g/mol. Its IUPAC name is 3-(3-aminopiperidin-1-yl)-1H-pyrazin-2-one;dihydrochloride.

Molecular Properties

Compound Name3-(3-aminopiperidin-1-yl)-1H-pyrazin-2-one;dihydrochloride
PubChem CID86811806
Molecular FormulaC9H16Cl2N4O
Molecular Weight267.16 g/mol
Exact Mass266.07
IUPAC Name3-(3-aminopiperidin-1-yl)-1H-pyrazin-2-one;dihydrochloride
SMILESCl.Cl.NC1CCCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C9H14N4O.2ClH/c10-7-2-1-5-13(6-7)8-9(14)12-4-3-11-8;;/h3-4,7H,1-2,5-6,10H2,(H,12,14);2*1H
InChIKeyRGAUIMRTVUCLPZ-UHFFFAOYSA-N
XLogP0.54
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopiperidin-1-yl)-1H-pyrazin-2-one;dihydrochloride?
The IUPAC name of 3-(3-aminopiperidin-1-yl)-1H-pyrazin-2-one;dihydrochloride (CID 86811806) is 3-(3-aminopiperidin-1-yl)-1H-pyrazin-2-one;dihydrochloride.
What is the SMILES notation for 3-(3-aminopiperidin-1-yl)-1H-pyrazin-2-one;dihydrochloride?
The canonical SMILES for 3-(3-aminopiperidin-1-yl)-1H-pyrazin-2-one;dihydrochloride is Cl.Cl.NC1CCCN(c2ncc[nH]c2=O)C1.
What is the InChIKey of 3-(3-aminopiperidin-1-yl)-1H-pyrazin-2-one;dihydrochloride?
The InChIKey is RGAUIMRTVUCLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O.2ClH/c10-7-2-1-5-13(6-7)8-9(14)12-4-3-11-8;;/h3-4,7H,1-2,5-6,10H2,(H,12,14);2*1H.
What are the key properties of 3-(3-aminopiperidin-1-yl)-1H-pyrazin-2-one;dihydrochloride?
3-(3-aminopiperidin-1-yl)-1H-pyrazin-2-one;dihydrochloride has a molecular weight of 267.16 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopiperidin-1-yl)-1H-pyrazin-2-one;dihydrochloride is sourced from PubChem (CID 86811806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).