3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile

C10H7BrN4S — CID 62672701

IUPAC3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCc1ccc(Br)s1
InChIInChI=1S/C10H7BrN4S/c11-9-2-1-7(16-9)6-15-10-8(5-12)13-3-4-14-10/h1-4H,6H2,(H,14,15)
InChIKeyCFYVTAMEKFFSQJ-UHFFFAOYSA-N
MW295.17 g/mol
LogP2.78
Rot. Bonds3

About 3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile

3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile (PubChem CID 62672701) has the molecular formula C10H7BrN4S and a molecular weight of 295.17 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile
PubChem CID62672701
Molecular FormulaC10H7BrN4S
Molecular Weight295.17 g/mol
Exact Mass293.96
IUPAC Name3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCc1ccc(Br)s1
InChIInChI=1S/C10H7BrN4S/c11-9-2-1-7(16-9)6-15-10-8(5-12)13-3-4-14-10/h1-4H,6H2,(H,14,15)
InChIKeyCFYVTAMEKFFSQJ-UHFFFAOYSA-N
XLogP2.78
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile
CID 82814128
N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063898
3-(thiophen-2-ylmethylamino)pyrazine-2-carbonitrile
CID 55133484
3-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carbonitrile
CID 104577496
3-(furan-2-ylmethylamino)pyrazine-2-carbonitrile
CID 62671433
3-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile
CID 114287628
3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile
CID 115605243
ethyl 3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carboxylate
CID 67086610
N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine
CID 61253580
N-[(5-bromothiophen-2-yl)methyl]-5-iodopyrimidin-4-amine
CID 66343007
4-[(5-bromothiophen-2-yl)methylamino]quinoline-3-carbonitrile
CID 61012849
6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102758505

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile (CID 62672701) is 3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile is N#Cc1nccnc1NCc1ccc(Br)s1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is CFYVTAMEKFFSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4S/c11-9-2-1-7(16-9)6-15-10-8(5-12)13-3-4-14-10/h1-4H,6H2,(H,14,15).
What are the key properties of 3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile?
3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 295.17 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 62672701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).