3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one

C14H18N6O — CID 62939060

IUPAC3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCN(c3ncccc3N)CC2)c1=O
InChIInChI=1S/C14H18N6O/c1-18-6-5-17-13(14(18)21)20-9-7-19(8-10-20)12-11(15)3-2-4-16-12/h2-6H,7-10,15H2,1H3
InChIKeyLROIZXQIAIUXTH-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.08
Rot. Bonds2

About 3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one

3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one (PubChem CID 62939060) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one
PubChem CID62939060
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCN(c3ncccc3N)CC2)c1=O
InChIInChI=1S/C14H18N6O/c1-18-6-5-17-13(14(18)21)20-9-7-19(8-10-20)12-11(15)3-2-4-16-12/h2-6H,7-10,15H2,1H3
InChIKeyLROIZXQIAIUXTH-UHFFFAOYSA-N
XLogP0.08
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one (CID 62939060) is 3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCN(c3ncccc3N)CC2)c1=O.
What is the InChIKey of 3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is LROIZXQIAIUXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-18-6-5-17-13(14(18)21)20-9-7-19(8-10-20)12-11(15)3-2-4-16-12/h2-6H,7-10,15H2,1H3.
What are the key properties of 3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one?
3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 286.34 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 62939060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).