3-[(2R)-2,4-dimethylpiperazin-1-yl]pyrazine-2-carbonitrile

C11H15N5 — CID 97094547

IUPAC3-[(2R)-2,4-dimethylpiperazin-1-yl]pyrazine-2-carbonitrile
SMILESC[C@@H]1CN(C)CCN1c1nccnc1C#N
InChIInChI=1S/C11H15N5/c1-9-8-15(2)5-6-16(9)11-10(7-12)13-3-4-14-11/h3-4,9H,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeyBLEGLAIBHKJZTC-SECBINFHSA-N
MW217.28 g/mol
LogP0.49
Rot. Bonds1

About 3-[(2R)-2,4-dimethylpiperazin-1-yl]pyrazine-2-carbonitrile

3-[(2R)-2,4-dimethylpiperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 97094547) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-[(2R)-2,4-dimethylpiperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2R)-2,4-dimethylpiperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID97094547
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-[(2R)-2,4-dimethylpiperazin-1-yl]pyrazine-2-carbonitrile
SMILESC[C@@H]1CN(C)CCN1c1nccnc1C#N
InChIInChI=1S/C11H15N5/c1-9-8-15(2)5-6-16(9)11-10(7-12)13-3-4-14-11/h3-4,9H,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeyBLEGLAIBHKJZTC-SECBINFHSA-N
XLogP0.49
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethylpiperazin-1-yl)pyrazine-2-carbothioamide
CID 114086675
5-amino-2-(2,4-dimethylpiperazin-1-yl)pyridine-3-carbonitrile
CID 114086186
3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 133284179
3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 133419744
3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile
CID 115605254
6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile
CID 150768660
6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile;ethane
CID 168909423
3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile
CID 62685726
3-[3-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 136517014
3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile
CID 79091673
3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133396027
3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 59598857

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2,4-dimethylpiperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(2R)-2,4-dimethylpiperazin-1-yl]pyrazine-2-carbonitrile (CID 97094547) is 3-[(2R)-2,4-dimethylpiperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(2R)-2,4-dimethylpiperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(2R)-2,4-dimethylpiperazin-1-yl]pyrazine-2-carbonitrile is C[C@@H]1CN(C)CCN1c1nccnc1C#N.
What is the InChIKey of 3-[(2R)-2,4-dimethylpiperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is BLEGLAIBHKJZTC-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N5/c1-9-8-15(2)5-6-16(9)11-10(7-12)13-3-4-14-11/h3-4,9H,5-6,8H2,1-2H3/t9-/m1/s1.
What are the key properties of 3-[(2R)-2,4-dimethylpiperazin-1-yl]pyrazine-2-carbonitrile?
3-[(2R)-2,4-dimethylpiperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 217.28 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2,4-dimethylpiperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 97094547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).