2-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]acetonitrile

C14H10N4 — CID 86016389

IUPAC2-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]acetonitrile
SMILESN#CCc1ccc(-c2cc3nccnc3[nH]2)cc1
InChIInChI=1S/C14H10N4/c15-6-5-10-1-3-11(4-2-10)12-9-13-14(18-12)17-8-7-16-13/h1-4,7-9H,5H2,(H,17,18)
InChIKeyBOWPLIDQPDMNLD-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.69
Rot. Bonds2

About 2-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]acetonitrile

2-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]acetonitrile (PubChem CID 86016389) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]acetonitrile
PubChem CID86016389
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name2-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]acetonitrile
SMILESN#CCc1ccc(-c2cc3nccnc3[nH]2)cc1
InChIInChI=1S/C14H10N4/c15-6-5-10-1-3-11(4-2-10)12-9-13-14(18-12)17-8-7-16-13/h1-4,7-9H,5H2,(H,17,18)
InChIKeyBOWPLIDQPDMNLD-UHFFFAOYSA-N
XLogP2.69
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]acetonitrile?
The IUPAC name of 2-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]acetonitrile (CID 86016389) is 2-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]acetonitrile is N#CCc1ccc(-c2cc3nccnc3[nH]2)cc1.
What is the InChIKey of 2-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]acetonitrile?
The InChIKey is BOWPLIDQPDMNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c15-6-5-10-1-3-11(4-2-10)12-9-13-14(18-12)17-8-7-16-13/h1-4,7-9H,5H2,(H,17,18).
What are the key properties of 2-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]acetonitrile?
2-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]acetonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]acetonitrile is sourced from PubChem (CID 86016389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).