2-(5-methylfuran-2-yl)-2-pyrazin-2-ylacetonitrile

C11H9N3O — CID 116833398

IUPAC2-(5-methylfuran-2-yl)-2-pyrazin-2-ylacetonitrile
SMILESCc1ccc(C(C#N)c2cnccn2)o1
InChIInChI=1S/C11H9N3O/c1-8-2-3-11(15-8)9(6-12)10-7-13-4-5-14-10/h2-5,7,9H,1H3
InChIKeyDANYYTXDDSGHQN-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.03
Rot. Bonds2

About 2-(5-methylfuran-2-yl)-2-pyrazin-2-ylacetonitrile

2-(5-methylfuran-2-yl)-2-pyrazin-2-ylacetonitrile (PubChem CID 116833398) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-2-pyrazin-2-ylacetonitrile.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-2-pyrazin-2-ylacetonitrile
PubChem CID116833398
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name2-(5-methylfuran-2-yl)-2-pyrazin-2-ylacetonitrile
SMILESCc1ccc(C(C#N)c2cnccn2)o1
InChIInChI=1S/C11H9N3O/c1-8-2-3-11(15-8)9(6-12)10-7-13-4-5-14-10/h2-5,7,9H,1H3
InChIKeyDANYYTXDDSGHQN-UHFFFAOYSA-N
XLogP2.03
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-2-pyrazin-2-ylacetonitrile?
The IUPAC name of 2-(5-methylfuran-2-yl)-2-pyrazin-2-ylacetonitrile (CID 116833398) is 2-(5-methylfuran-2-yl)-2-pyrazin-2-ylacetonitrile.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-2-pyrazin-2-ylacetonitrile?
The canonical SMILES for 2-(5-methylfuran-2-yl)-2-pyrazin-2-ylacetonitrile is Cc1ccc(C(C#N)c2cnccn2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-2-pyrazin-2-ylacetonitrile?
The InChIKey is DANYYTXDDSGHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-8-2-3-11(15-8)9(6-12)10-7-13-4-5-14-10/h2-5,7,9H,1H3.
What are the key properties of 2-(5-methylfuran-2-yl)-2-pyrazin-2-ylacetonitrile?
2-(5-methylfuran-2-yl)-2-pyrazin-2-ylacetonitrile has a molecular weight of 199.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-2-pyrazin-2-ylacetonitrile is sourced from PubChem (CID 116833398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).