3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazine-2-carbonitrile

C12H12N4S — CID 62673071

IUPAC3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazine-2-carbonitrile
SMILESCc1ccc(C(C)Nc2nccnc2C#N)s1
InChIInChI=1S/C12H12N4S/c1-8-3-4-11(17-8)9(2)16-12-10(7-13)14-5-6-15-12/h3-6,9H,1-2H3,(H,15,16)
InChIKeyDYFOTQZEVIAZSI-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.89
Rot. Bonds3

About 3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazine-2-carbonitrile

3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazine-2-carbonitrile (PubChem CID 62673071) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazine-2-carbonitrile
PubChem CID62673071
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazine-2-carbonitrile
SMILESCc1ccc(C(C)Nc2nccnc2C#N)s1
InChIInChI=1S/C12H12N4S/c1-8-3-4-11(17-8)9(2)16-12-10(7-13)14-5-6-15-12/h3-6,9H,1-2H3,(H,15,16)
InChIKeyDYFOTQZEVIAZSI-UHFFFAOYSA-N
XLogP2.89
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazine-2-carbonitrile (CID 62673071) is 3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazine-2-carbonitrile is Cc1ccc(C(C)Nc2nccnc2C#N)s1.
What is the InChIKey of 3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazine-2-carbonitrile?
The InChIKey is DYFOTQZEVIAZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-8-3-4-11(17-8)9(2)16-12-10(7-13)14-5-6-15-12/h3-6,9H,1-2H3,(H,15,16).
What are the key properties of 3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazine-2-carbonitrile?
3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazine-2-carbonitrile has a molecular weight of 244.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 62673071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).