5-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile

C15H20N6O — CID 133492940

IUPAC5-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCN1CCCC1C(=O)N1CCN(c2cnc(C#N)cn2)CC1
InChIInChI=1S/C15H20N6O/c1-19-4-2-3-13(19)15(22)21-7-5-20(6-8-21)14-11-17-12(9-16)10-18-14/h10-11,13H,2-8H2,1H3
InChIKeyCLSZPJDQOJBYDO-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.09
Rot. Bonds2

About 5-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile

5-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133492940) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 5-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID133492940
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name5-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCN1CCCC1C(=O)N1CCN(c2cnc(C#N)cn2)CC1
InChIInChI=1S/C15H20N6O/c1-19-4-2-3-13(19)15(22)21-7-5-20(6-8-21)14-11-17-12(9-16)10-18-14/h10-11,13H,2-8H2,1H3
InChIKeyCLSZPJDQOJBYDO-UHFFFAOYSA-N
XLogP0.09
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 133492940) is 5-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile is CN1CCCC1C(=O)N1CCN(c2cnc(C#N)cn2)CC1.
What is the InChIKey of 5-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is CLSZPJDQOJBYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-19-4-2-3-13(19)15(22)21-7-5-20(6-8-21)14-11-17-12(9-16)10-18-14/h10-11,13H,2-8H2,1H3.
What are the key properties of 5-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile?
5-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 300.37 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133492940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).