5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile

C11H14N4S — CID 107268789

IUPAC5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile
SMILESCSC1(CNc2cnc(C#N)cn2)CCC1
InChIInChI=1S/C11H14N4S/c1-16-11(3-2-4-11)8-15-10-7-13-9(5-12)6-14-10/h6-7H,2-4,8H2,1H3,(H,14,15)
InChIKeyIUIKVCLXXIXHDQ-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.05
Rot. Bonds4

About 5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile

5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile (PubChem CID 107268789) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile
PubChem CID107268789
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile
SMILESCSC1(CNc2cnc(C#N)cn2)CCC1
InChIInChI=1S/C11H14N4S/c1-16-11(3-2-4-11)8-15-10-7-13-9(5-12)6-14-10/h6-7H,2-4,8H2,1H3,(H,14,15)
InChIKeyIUIKVCLXXIXHDQ-UHFFFAOYSA-N
XLogP2.05
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 104918166
5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 65110472
5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile
CID 104917836
6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile
CID 114116293
4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile
CID 114116374
6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine
CID 107268817
5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
CID 114117145
5-(3-methylbutylamino)pyrazine-2-carbonitrile
CID 63660331
N-[(1-methylsulfanylcyclobutyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 107268832
1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid
CID 81164784
N-[(1-methylsulfanylcyclobutyl)methyl]pyridazin-3-amine
CID 107268844
6-[(1-methylsulfanylcyclohexyl)methylamino]pyridine-3-carboxylic acid
CID 114116581

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile (CID 107268789) is 5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile is CSC1(CNc2cnc(C#N)cn2)CCC1.
What is the InChIKey of 5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is IUIKVCLXXIXHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-16-11(3-2-4-11)8-15-10-7-13-9(5-12)6-14-10/h6-7H,2-4,8H2,1H3,(H,14,15).
What are the key properties of 5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile?
5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 234.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 107268789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).