3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile

C11H15N5 — CID 55210942

IUPAC3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile
SMILESCN(CCNc1nccnc1C#N)C1CC1
InChIInChI=1S/C11H15N5/c1-16(9-2-3-9)7-6-15-11-10(8-12)13-4-5-14-11/h4-5,9H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyDRUBPMKNCGRRJQ-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.85
Rot. Bonds5

About 3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile

3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile (PubChem CID 55210942) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile
PubChem CID55210942
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile
SMILESCN(CCNc1nccnc1C#N)C1CC1
InChIInChI=1S/C11H15N5/c1-16(9-2-3-9)7-6-15-11-10(8-12)13-4-5-14-11/h4-5,9H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyDRUBPMKNCGRRJQ-UHFFFAOYSA-N
XLogP0.85
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[cyclopropyl(methyl)amino]ethoxy]pyrazine-2-carbonitrile
CID 102740080
4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile
CID 62979748
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136
3-(2-methoxyethylamino)pyrazine-2-carbonitrile
CID 62671434
N'-cyclopropyl-N'-methyl-N-pyrazin-2-ylethane-1,2-diamine
CID 62980641
2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide
CID 62977992
3-(octylamino)pyrazine-2-carbonitrile
CID 115568129
3-[3-(2-fluoro-N-methylanilino)propylamino]pyrazine-2-carbonitrile
CID 133283909
3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrazin-2-one
CID 62978693
2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile
CID 107544497
3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile
CID 62671465
3-(cyclooctylmethylamino)pyrazine-2-carbonitrile
CID 133283842

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile (CID 55210942) is 3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile is CN(CCNc1nccnc1C#N)C1CC1.
What is the InChIKey of 3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile?
The InChIKey is DRUBPMKNCGRRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-16(9-2-3-9)7-6-15-11-10(8-12)13-4-5-14-11/h4-5,9H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile?
3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile has a molecular weight of 217.28 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 55210942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).