3-[ethyl-[6-(propylamino)pyrazin-2-yl]amino]-2-methylpropanenitrile

C13H21N5 — CID 80806836

IUPAC3-[ethyl-[6-(propylamino)pyrazin-2-yl]amino]-2-methylpropanenitrile
SMILESCCCNc1cncc(N(CC)CC(C)C#N)n1
InChIInChI=1S/C13H21N5/c1-4-6-16-12-8-15-9-13(17-12)18(5-2)10-11(3)7-14/h8-9,11H,4-6,10H2,1-3H3,(H,16,17)
InChIKeyTUTUHRIVFKYOFS-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.28
Rot. Bonds7

About 3-[ethyl-[6-(propylamino)pyrazin-2-yl]amino]-2-methylpropanenitrile

3-[ethyl-[6-(propylamino)pyrazin-2-yl]amino]-2-methylpropanenitrile (PubChem CID 80806836) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 3-[ethyl-[6-(propylamino)pyrazin-2-yl]amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl-[6-(propylamino)pyrazin-2-yl]amino]-2-methylpropanenitrile
PubChem CID80806836
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name3-[ethyl-[6-(propylamino)pyrazin-2-yl]amino]-2-methylpropanenitrile
SMILESCCCNc1cncc(N(CC)CC(C)C#N)n1
InChIInChI=1S/C13H21N5/c1-4-6-16-12-8-15-9-13(17-12)18(5-2)10-11(3)7-14/h8-9,11H,4-6,10H2,1-3H3,(H,16,17)
InChIKeyTUTUHRIVFKYOFS-UHFFFAOYSA-N
XLogP2.28
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-[6-(propylamino)pyrazin-2-yl]amino]butanenitrile
CID 80828763
2-N-ethyl-2-N-(2-methoxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 80808373
2-[2-hydroxyethyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol
CID 80797495
2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine
CID 80814670
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropanenitrile
CID 80806926
2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol
CID 80796692
2-N-ethyl-6-N-methyl-2-N-(2-methylbutyl)pyrazine-2,6-diamine
CID 80850264
2-methyl-3-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80809902
N-ethyl-6-hydrazinyl-N-(2-methylbutyl)pyrazin-2-amine
CID 80928893
2-N-propan-2-yl-6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
CID 80814943
2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 104766984
3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile
CID 80653025

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[6-(propylamino)pyrazin-2-yl]amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl-[6-(propylamino)pyrazin-2-yl]amino]-2-methylpropanenitrile (CID 80806836) is 3-[ethyl-[6-(propylamino)pyrazin-2-yl]amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl-[6-(propylamino)pyrazin-2-yl]amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl-[6-(propylamino)pyrazin-2-yl]amino]-2-methylpropanenitrile is CCCNc1cncc(N(CC)CC(C)C#N)n1.
What is the InChIKey of 3-[ethyl-[6-(propylamino)pyrazin-2-yl]amino]-2-methylpropanenitrile?
The InChIKey is TUTUHRIVFKYOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-4-6-16-12-8-15-9-13(17-12)18(5-2)10-11(3)7-14/h8-9,11H,4-6,10H2,1-3H3,(H,16,17).
What are the key properties of 3-[ethyl-[6-(propylamino)pyrazin-2-yl]amino]-2-methylpropanenitrile?
3-[ethyl-[6-(propylamino)pyrazin-2-yl]amino]-2-methylpropanenitrile has a molecular weight of 247.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[6-(propylamino)pyrazin-2-yl]amino]-2-methylpropanenitrile is sourced from PubChem (CID 80806836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).