5-[2-aminoethyl(ethyl)amino]pyrazine-2-carbonitrile

C9H13N5 — CID 114900596

IUPAC5-[2-aminoethyl(ethyl)amino]pyrazine-2-carbonitrile
SMILESCCN(CCN)c1cnc(C#N)cn1
InChIInChI=1S/C9H13N5/c1-2-14(4-3-10)9-7-12-8(5-11)6-13-9/h6-7H,2-4,10H2,1H3
InChIKeyOXPRCMHSYJTAHB-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.13
Rot. Bonds4

About 5-[2-aminoethyl(ethyl)amino]pyrazine-2-carbonitrile

5-[2-aminoethyl(ethyl)amino]pyrazine-2-carbonitrile (PubChem CID 114900596) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 5-[2-aminoethyl(ethyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-aminoethyl(ethyl)amino]pyrazine-2-carbonitrile
PubChem CID114900596
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name5-[2-aminoethyl(ethyl)amino]pyrazine-2-carbonitrile
SMILESCCN(CCN)c1cnc(C#N)cn1
InChIInChI=1S/C9H13N5/c1-2-14(4-3-10)9-7-12-8(5-11)6-13-9/h6-7H,2-4,10H2,1H3
InChIKeyOXPRCMHSYJTAHB-UHFFFAOYSA-N
XLogP0.13
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(4-bromophenoxy)ethyl-ethylamino]pyrazine-2-carbonitrile
CID 133492593
5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile
CID 107368193
N'-(5,6-dimethylpyrazin-2-yl)-N'-ethylethane-1,2-diamine
CID 114477613
5-[azetidin-3-yl(ethyl)amino]pyrazine-2-carbonitrile
CID 66183690
5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile
CID 107479570
2-[2-aminoethyl(ethyl)amino]pyridine-3-carbonitrile
CID 114900544
5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile
CID 65487650
5-propylpyrazine-2-carbonitrile
CID 20725734
5-[azetidin-3-yl(methyl)amino]pyrazine-2-carbonitrile
CID 66181833
5-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]pyrazine-2-carbonitrile
CID 133491455
3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile
CID 80653025
5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile
CID 133290964

Frequently Asked Questions

What is the IUPAC name of 5-[2-aminoethyl(ethyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[2-aminoethyl(ethyl)amino]pyrazine-2-carbonitrile (CID 114900596) is 5-[2-aminoethyl(ethyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[2-aminoethyl(ethyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[2-aminoethyl(ethyl)amino]pyrazine-2-carbonitrile is CCN(CCN)c1cnc(C#N)cn1.
What is the InChIKey of 5-[2-aminoethyl(ethyl)amino]pyrazine-2-carbonitrile?
The InChIKey is OXPRCMHSYJTAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-2-14(4-3-10)9-7-12-8(5-11)6-13-9/h6-7H,2-4,10H2,1H3.
What are the key properties of 5-[2-aminoethyl(ethyl)amino]pyrazine-2-carbonitrile?
5-[2-aminoethyl(ethyl)amino]pyrazine-2-carbonitrile has a molecular weight of 191.24 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-aminoethyl(ethyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 114900596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).