3-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile

C14H15N7 — CID 62683141

IUPAC3-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(c2ccc(N)nc2)CC1
InChIInChI=1S/C14H15N7/c15-9-12-14(18-4-3-17-12)21-7-5-20(6-8-21)11-1-2-13(16)19-10-11/h1-4,10H,5-8H2,(H2,16,19)
InChIKeyYSJCAUPDVZLZCQ-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.65
Rot. Bonds2

About 3-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile

3-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 62683141) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID62683141
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name3-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(c2ccc(N)nc2)CC1
InChIInChI=1S/C14H15N7/c15-9-12-14(18-4-3-17-12)21-7-5-20(6-8-21)11-1-2-13(16)19-10-11/h1-4,10H,5-8H2,(H2,16,19)
InChIKeyYSJCAUPDVZLZCQ-UHFFFAOYSA-N
XLogP0.65
TPSA94.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 62683141) is 3-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCN(c2ccc(N)nc2)CC1.
What is the InChIKey of 3-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is YSJCAUPDVZLZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7/c15-9-12-14(18-4-3-17-12)21-7-5-20(6-8-21)11-1-2-13(16)19-10-11/h1-4,10H,5-8H2,(H2,16,19).
What are the key properties of 3-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 281.32 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 62683141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).