5-[azetidin-3-yl(ethyl)amino]pyrazine-2-carbonitrile

C10H13N5 — CID 66183690

IUPAC5-[azetidin-3-yl(ethyl)amino]pyrazine-2-carbonitrile
SMILESCCN(c1cnc(C#N)cn1)C1CNC1
InChIInChI=1S/C10H13N5/c1-2-15(9-5-12-6-9)10-7-13-8(3-11)4-14-10/h4,7,9,12H,2,5-6H2,1H3
InChIKeyDQHRLRILGDXJLP-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.15
Rot. Bonds3

About 5-[azetidin-3-yl(ethyl)amino]pyrazine-2-carbonitrile

5-[azetidin-3-yl(ethyl)amino]pyrazine-2-carbonitrile (PubChem CID 66183690) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 5-[azetidin-3-yl(ethyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[azetidin-3-yl(ethyl)amino]pyrazine-2-carbonitrile
PubChem CID66183690
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name5-[azetidin-3-yl(ethyl)amino]pyrazine-2-carbonitrile
SMILESCCN(c1cnc(C#N)cn1)C1CNC1
InChIInChI=1S/C10H13N5/c1-2-15(9-5-12-6-9)10-7-13-8(3-11)4-14-10/h4,7,9,12H,2,5-6H2,1H3
InChIKeyDQHRLRILGDXJLP-UHFFFAOYSA-N
XLogP0.15
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[azetidin-3-yl(ethyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[azetidin-3-yl(ethyl)amino]pyrazine-2-carbonitrile (CID 66183690) is 5-[azetidin-3-yl(ethyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[azetidin-3-yl(ethyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[azetidin-3-yl(ethyl)amino]pyrazine-2-carbonitrile is CCN(c1cnc(C#N)cn1)C1CNC1.
What is the InChIKey of 5-[azetidin-3-yl(ethyl)amino]pyrazine-2-carbonitrile?
The InChIKey is DQHRLRILGDXJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-2-15(9-5-12-6-9)10-7-13-8(3-11)4-14-10/h4,7,9,12H,2,5-6H2,1H3.
What are the key properties of 5-[azetidin-3-yl(ethyl)amino]pyrazine-2-carbonitrile?
5-[azetidin-3-yl(ethyl)amino]pyrazine-2-carbonitrile has a molecular weight of 203.25 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[azetidin-3-yl(ethyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 66183690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).