5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile

C15H16N6 — CID 133493080

IUPAC5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCc1ccnc(N2CCN(c3cnc(C#N)cn3)CC2)c1
InChIInChI=1S/C15H16N6/c1-12-2-3-17-14(8-12)20-4-6-21(7-5-20)15-11-18-13(9-16)10-19-15/h2-3,8,10-11H,4-7H2,1H3
InChIKeyCCSYOXDOZQGQPG-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.38
Rot. Bonds2

About 5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile

5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133493080) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID133493080
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCc1ccnc(N2CCN(c3cnc(C#N)cn3)CC2)c1
InChIInChI=1S/C15H16N6/c1-12-2-3-17-14(8-12)20-4-6-21(7-5-20)15-11-18-13(9-16)10-19-15/h2-3,8,10-11H,4-7H2,1H3
InChIKeyCCSYOXDOZQGQPG-UHFFFAOYSA-N
XLogP1.38
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 133493080) is 5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile is Cc1ccnc(N2CCN(c3cnc(C#N)cn3)CC2)c1.
What is the InChIKey of 5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is CCSYOXDOZQGQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-12-2-3-17-14(8-12)20-4-6-21(7-5-20)15-11-18-13(9-16)10-19-15/h2-3,8,10-11H,4-7H2,1H3.
What are the key properties of 5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile?
5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 280.34 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133493080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).