5-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrazine-2-carbonitrile

C14H20N6 — CID 126892107

IUPAC5-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrazine-2-carbonitrile
SMILESCCN1CCN(C2CN(c3cnc(C#N)cn3)C2)CC1
InChIInChI=1S/C14H20N6/c1-2-18-3-5-19(6-4-18)13-10-20(11-13)14-9-16-12(7-15)8-17-14/h8-9,13H,2-6,10-11H2,1H3
InChIKeyFHNUFMBDHJMJGI-UHFFFAOYSA-N
MW272.36 g/mol
LogP0.17
Rot. Bonds3

About 5-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrazine-2-carbonitrile

5-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 126892107) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 5-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrazine-2-carbonitrile
PubChem CID126892107
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name5-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrazine-2-carbonitrile
SMILESCCN1CCN(C2CN(c3cnc(C#N)cn3)C2)CC1
InChIInChI=1S/C14H20N6/c1-2-18-3-5-19(6-4-18)13-10-20(11-13)14-9-16-12(7-15)8-17-14/h8-9,13H,2-6,10-11H2,1H3
InChIKeyFHNUFMBDHJMJGI-UHFFFAOYSA-N
XLogP0.17
TPSA59.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 133485263
5-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyrazine-2-carbonitrile
CID 133485794
5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 104696756
5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 79867314
5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 104918116
5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 81463984
6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile
CID 126891739
5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 114382889
5-(3-ethyl-4-phenylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 133485048
5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133493080
5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290515
5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290153

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrazine-2-carbonitrile (CID 126892107) is 5-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrazine-2-carbonitrile is CCN1CCN(C2CN(c3cnc(C#N)cn3)C2)CC1.
What is the InChIKey of 5-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is FHNUFMBDHJMJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-2-18-3-5-19(6-4-18)13-10-20(11-13)14-9-16-12(7-15)8-17-14/h8-9,13H,2-6,10-11H2,1H3.
What are the key properties of 5-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrazine-2-carbonitrile?
5-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 272.36 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 126892107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).