5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile

C13H14N4S — CID 133484216

IUPAC5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile
SMILESCC(CNc1cnc(C#N)cn1)Cc1cccs1
InChIInChI=1S/C13H14N4S/c1-10(5-12-3-2-4-18-12)7-16-13-9-15-11(6-14)8-17-13/h2-4,8-10H,5,7H2,1H3,(H,16,17)
InChIKeySJXIIZINQXJTGE-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.70
Rot. Bonds5

About 5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile

5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile (PubChem CID 133484216) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile
PubChem CID133484216
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile
SMILESCC(CNc1cnc(C#N)cn1)Cc1cccs1
InChIInChI=1S/C13H14N4S/c1-10(5-12-3-2-4-18-12)7-16-13-9-15-11(6-14)8-17-13/h2-4,8-10H,5,7H2,1H3,(H,16,17)
InChIKeySJXIIZINQXJTGE-UHFFFAOYSA-N
XLogP2.70
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile
CID 133485018
6-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)pyridin-2-amine
CID 133483564
5-(3-methylbutylamino)pyrazine-2-carbonitrile
CID 63660331
5-[[2-(2-chlorophenyl)-2-methoxyethyl]amino]pyrazine-2-carbonitrile
CID 133492768
5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
CID 133484456
2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine
CID 115655098
5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile
CID 104917594
5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133490912
5-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 63658915
5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 79839884
N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine
CID 115655102
5-[1-(2-bromophenyl)propan-2-ylamino]pyrazine-2-carbonitrile
CID 133491419

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile (CID 133484216) is 5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile is CC(CNc1cnc(C#N)cn1)Cc1cccs1.
What is the InChIKey of 5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile?
The InChIKey is SJXIIZINQXJTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-10(5-12-3-2-4-18-12)7-16-13-9-15-11(6-14)8-17-13/h2-4,8-10H,5,7H2,1H3,(H,16,17).
What are the key properties of 5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile?
5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile has a molecular weight of 258.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133484216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).