5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile

C12H12N4S — CID 133485018

IUPAC5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile
SMILESCC(CNc1cnc(C#N)cn1)c1ccsc1
InChIInChI=1S/C12H12N4S/c1-9(10-2-3-17-8-10)5-15-12-7-14-11(4-13)6-16-12/h2-3,6-9H,5H2,1H3,(H,15,16)
InChIKeyIILLVXWTCLMVMJ-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.63
Rot. Bonds4

About 5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile

5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile (PubChem CID 133485018) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile
PubChem CID133485018
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile
SMILESCC(CNc1cnc(C#N)cn1)c1ccsc1
InChIInChI=1S/C12H12N4S/c1-9(10-2-3-17-8-10)5-15-12-7-14-11(4-13)6-16-12/h2-3,6-9H,5H2,1H3,(H,15,16)
InChIKeyIILLVXWTCLMVMJ-UHFFFAOYSA-N
XLogP2.63
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile?
The IUPAC name of 5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile (CID 133485018) is 5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile is CC(CNc1cnc(C#N)cn1)c1ccsc1.
What is the InChIKey of 5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile?
The InChIKey is IILLVXWTCLMVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-9(10-2-3-17-8-10)5-15-12-7-14-11(4-13)6-16-12/h2-3,6-9H,5H2,1H3,(H,15,16).
What are the key properties of 5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile?
5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile has a molecular weight of 244.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 133485018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).