3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile

C13H21N5 — CID 62673246

IUPAC3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile
SMILESCC(C)CC(CN(C)C)Nc1nccnc1C#N
InChIInChI=1S/C13H21N5/c1-10(2)7-11(9-18(3)4)17-13-12(8-14)15-5-6-16-13/h5-6,10-11H,7,9H2,1-4H3,(H,16,17)
InChIKeyGCCSHGNYILNFHO-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.74
Rot. Bonds6

About 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile

3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile (PubChem CID 62673246) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile
PubChem CID62673246
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile
SMILESCC(C)CC(CN(C)C)Nc1nccnc1C#N
InChIInChI=1S/C13H21N5/c1-10(2)7-11(9-18(3)4)17-13-12(8-14)15-5-6-16-13/h5-6,10-11H,7,9H2,1-4H3,(H,16,17)
InChIKeyGCCSHGNYILNFHO-UHFFFAOYSA-N
XLogP1.74
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3-nitropyridine-4-carbonitrile
CID 82794892
3-(3-methylbutan-2-ylamino)pyrazine-2-carbonitrile
CID 62672516
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile
CID 62099704
3-(2-methylpentan-3-ylamino)pyrazine-2-carbonitrile
CID 62673067
2-[(3-cyanopyrazin-2-yl)amino]-N,N-dimethylpropanamide
CID 62673065
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one
CID 62940940
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80782621
3-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carbonitrile
CID 104828363
3-[2-(2-hydroxypropylamino)ethylamino]pyrazine-2-carbonitrile
CID 104594134
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80808240
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile
CID 107544009
3-(2,2-dimethylhydrazinyl)pyrazine-2-carbonitrile
CID 83016253

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile (CID 62673246) is 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile is CC(C)CC(CN(C)C)Nc1nccnc1C#N.
What is the InChIKey of 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is GCCSHGNYILNFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-10(2)7-11(9-18(3)4)17-13-12(8-14)15-5-6-16-13/h5-6,10-11H,7,9H2,1-4H3,(H,16,17).
What are the key properties of 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile?
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 247.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 62673246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).