5-[[2-(2-chlorophenyl)-2-methoxyethyl]amino]pyrazine-2-carbonitrile

C14H13ClN4O — CID 133492768

IUPAC5-[[2-(2-chlorophenyl)-2-methoxyethyl]amino]pyrazine-2-carbonitrile
SMILESCOC(CNc1cnc(C#N)cn1)c1ccccc1Cl
InChIInChI=1S/C14H13ClN4O/c1-20-13(11-4-2-3-5-12(11)15)8-19-14-9-17-10(6-16)7-18-14/h2-5,7,9,13H,8H2,1H3,(H,18,19)
InChIKeyAJGHZPLSXBTBOF-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.80
Rot. Bonds5

About 5-[[2-(2-chlorophenyl)-2-methoxyethyl]amino]pyrazine-2-carbonitrile

5-[[2-(2-chlorophenyl)-2-methoxyethyl]amino]pyrazine-2-carbonitrile (PubChem CID 133492768) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 5-[[2-(2-chlorophenyl)-2-methoxyethyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[2-(2-chlorophenyl)-2-methoxyethyl]amino]pyrazine-2-carbonitrile
PubChem CID133492768
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name5-[[2-(2-chlorophenyl)-2-methoxyethyl]amino]pyrazine-2-carbonitrile
SMILESCOC(CNc1cnc(C#N)cn1)c1ccccc1Cl
InChIInChI=1S/C14H13ClN4O/c1-20-13(11-4-2-3-5-12(11)15)8-19-14-9-17-10(6-16)7-18-14/h2-5,7,9,13H,8H2,1H3,(H,18,19)
InChIKeyAJGHZPLSXBTBOF-UHFFFAOYSA-N
XLogP2.80
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
CID 133484456
N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine
CID 62107818
5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile
CID 133484216
5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile
CID 79840053
5-[[1-(2-methoxyphenyl)-3-methylbutyl]amino]pyrazine-2-carbonitrile
CID 133485104
5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile
CID 104917594
5-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 63658915
5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 104918166
(2R)-2-(2-chlorophenyl)-2-methoxy-N-[(1R)-1-pyrazin-2-ylethyl]ethanamine
CID 97103398
5-(3-methylbutylamino)pyrazine-2-carbonitrile
CID 63660331
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2-cyanophenyl)oxamide
CID 90623942
5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile
CID 133485018

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-chlorophenyl)-2-methoxyethyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[2-(2-chlorophenyl)-2-methoxyethyl]amino]pyrazine-2-carbonitrile (CID 133492768) is 5-[[2-(2-chlorophenyl)-2-methoxyethyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[2-(2-chlorophenyl)-2-methoxyethyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[2-(2-chlorophenyl)-2-methoxyethyl]amino]pyrazine-2-carbonitrile is COC(CNc1cnc(C#N)cn1)c1ccccc1Cl.
What is the InChIKey of 5-[[2-(2-chlorophenyl)-2-methoxyethyl]amino]pyrazine-2-carbonitrile?
The InChIKey is AJGHZPLSXBTBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-20-13(11-4-2-3-5-12(11)15)8-19-14-9-17-10(6-16)7-18-14/h2-5,7,9,13H,8H2,1H3,(H,18,19).
What are the key properties of 5-[[2-(2-chlorophenyl)-2-methoxyethyl]amino]pyrazine-2-carbonitrile?
5-[[2-(2-chlorophenyl)-2-methoxyethyl]amino]pyrazine-2-carbonitrile has a molecular weight of 288.74 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-chlorophenyl)-2-methoxyethyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133492768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).