3-amino-6-chloro-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile

C10H7ClN4O — CID 155227739

IUPAC3-amino-6-chloro-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
SMILESCc1ccc(-c2nc(N)c(C#N)nc2Cl)o1
InChIInChI=1S/C10H7ClN4O/c1-5-2-3-7(16-5)8-9(11)14-6(4-12)10(13)15-8/h2-3H,1H3,(H2,13,15)
InChIKeyUEGMGLCBFWINNV-UHFFFAOYSA-N
MW234.65 g/mol
LogP2.15
Rot. Bonds1

About 3-amino-6-chloro-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile

3-amino-6-chloro-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile (PubChem CID 155227739) has the molecular formula C10H7ClN4O and a molecular weight of 234.65 g/mol. Its IUPAC name is 3-amino-6-chloro-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-chloro-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
PubChem CID155227739
Molecular FormulaC10H7ClN4O
Molecular Weight234.65 g/mol
Exact Mass234.03
IUPAC Name3-amino-6-chloro-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
SMILESCc1ccc(-c2nc(N)c(C#N)nc2Cl)o1
InChIInChI=1S/C10H7ClN4O/c1-5-2-3-7(16-5)8-9(11)14-6(4-12)10(13)15-8/h2-3H,1H3,(H2,13,15)
InChIKeyUEGMGLCBFWINNV-UHFFFAOYSA-N
XLogP2.15
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.65
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-chloro-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile (CID 155227739) is 3-amino-6-chloro-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-chloro-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-chloro-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile is Cc1ccc(-c2nc(N)c(C#N)nc2Cl)o1.
What is the InChIKey of 3-amino-6-chloro-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile?
The InChIKey is UEGMGLCBFWINNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O/c1-5-2-3-7(16-5)8-9(11)14-6(4-12)10(13)15-8/h2-3H,1H3,(H2,13,15).
What are the key properties of 3-amino-6-chloro-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile?
3-amino-6-chloro-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile has a molecular weight of 234.65 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 155227739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).