3-(4-methoxybutylamino)pyrazine-2-carbonitrile

C10H14N4O — CID 62673581

IUPAC3-(4-methoxybutylamino)pyrazine-2-carbonitrile
SMILESCOCCCCNc1nccnc1C#N
InChIInChI=1S/C10H14N4O/c1-15-7-3-2-4-13-10-9(8-11)12-5-6-14-10/h5-6H,2-4,7H2,1H3,(H,13,14)
InChIKeyJPBZXFCXPJHHBT-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.19
Rot. Bonds6

About 3-(4-methoxybutylamino)pyrazine-2-carbonitrile

3-(4-methoxybutylamino)pyrazine-2-carbonitrile (PubChem CID 62673581) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-(4-methoxybutylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(4-methoxybutylamino)pyrazine-2-carbonitrile
PubChem CID62673581
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-(4-methoxybutylamino)pyrazine-2-carbonitrile
SMILESCOCCCCNc1nccnc1C#N
InChIInChI=1S/C10H14N4O/c1-15-7-3-2-4-13-10-9(8-11)12-5-6-14-10/h5-6H,2-4,7H2,1H3,(H,13,14)
InChIKeyJPBZXFCXPJHHBT-UHFFFAOYSA-N
XLogP1.19
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethylamino)pyrazine-2-carbonitrile
CID 62671434
3-(octylamino)pyrazine-2-carbonitrile
CID 115568129
3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
CID 133284146
N-(4-methoxybutyl)-3-methylpyrazin-2-amine
CID 83063291
3-(3-phenoxypropylamino)pyrazine-2-carbonitrile
CID 55133688
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136
2-(3-methoxypropylamino)pyridine-3-carbonitrile
CID 17221189
3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile
CID 103794641
3-[2-[(4-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133444700
3-[3-(2,4-dichlorophenoxy)propylamino]pyrazine-2-carbonitrile
CID 133284498
3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133390217
N-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide
CID 133283671

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(4-methoxybutylamino)pyrazine-2-carbonitrile (CID 62673581) is 3-(4-methoxybutylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(4-methoxybutylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(4-methoxybutylamino)pyrazine-2-carbonitrile is COCCCCNc1nccnc1C#N.
What is the InChIKey of 3-(4-methoxybutylamino)pyrazine-2-carbonitrile?
The InChIKey is JPBZXFCXPJHHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-15-7-3-2-4-13-10-9(8-11)12-5-6-14-10/h5-6H,2-4,7H2,1H3,(H,13,14).
What are the key properties of 3-(4-methoxybutylamino)pyrazine-2-carbonitrile?
3-(4-methoxybutylamino)pyrazine-2-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 62673581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).