3-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethyl)benzonitrile

C14H10N4 — CID 174942234

IUPAC3-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethyl)benzonitrile
SMILESN#Cc1cccc(Cc2cnc3[nH]ccc3n2)c1
InChIInChI=1S/C14H10N4/c15-8-11-3-1-2-10(6-11)7-12-9-17-14-13(18-12)4-5-16-14/h1-6,9H,7H2,(H,16,17)
InChIKeyRWHVLXSRQVLHEE-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.42
Rot. Bonds2

About 3-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethyl)benzonitrile

3-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethyl)benzonitrile (PubChem CID 174942234) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethyl)benzonitrile.

Molecular Properties

Compound Name3-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethyl)benzonitrile
PubChem CID174942234
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name3-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethyl)benzonitrile
SMILESN#Cc1cccc(Cc2cnc3[nH]ccc3n2)c1
InChIInChI=1S/C14H10N4/c15-8-11-3-1-2-10(6-11)7-12-9-17-14-13(18-12)4-5-16-14/h1-6,9H,7H2,(H,16,17)
InChIKeyRWHVLXSRQVLHEE-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[2-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclobutyl]ethyl]benzonitrile
CID 58395514
3-[(5-amino-3-pyridinyl)methyl]benzonitrile
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5H-pyrrolo[2,3-b]pyrazin-2-ylmethylcarbamic acid
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3-[[4-(iodomethyl)phenyl]methyl]benzonitrile
CID 57438401
3-[(4-methoxyphenyl)methyl]benzonitrile
CID 126697146
3-[(5-piperidin-4-yl-1,3-thiazol-2-yl)methyl]benzonitrile
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3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]benzonitrile
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3-(2-methylpropyl)benzonitrile
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3-(2-methylbutyl)benzonitrile
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3-(triphenylen-2-ylmethyl)benzonitrile
CID 153329231

Frequently Asked Questions

What is the IUPAC name of 3-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethyl)benzonitrile?
The IUPAC name of 3-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethyl)benzonitrile (CID 174942234) is 3-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethyl)benzonitrile.
What is the SMILES notation for 3-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethyl)benzonitrile?
The canonical SMILES for 3-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethyl)benzonitrile is N#Cc1cccc(Cc2cnc3[nH]ccc3n2)c1.
What is the InChIKey of 3-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethyl)benzonitrile?
The InChIKey is RWHVLXSRQVLHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c15-8-11-3-1-2-10(6-11)7-12-9-17-14-13(18-12)4-5-16-14/h1-6,9H,7H2,(H,16,17).
What are the key properties of 3-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethyl)benzonitrile?
3-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethyl)benzonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5H-pyrrolo[2,3-b]pyrazin-2-ylmethyl)benzonitrile is sourced from PubChem (CID 174942234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).