5-[5-(4-cyanophenoxy)pentoxy]pyrazine-2-carbonitrile

C17H16N4O2 — CID 148585014

IUPAC5-[5-(4-cyanophenoxy)pentoxy]pyrazine-2-carbonitrile
SMILESN#Cc1ccc(OCCCCCOc2cnc(C#N)cn2)cc1
InChIInChI=1S/C17H16N4O2/c18-10-14-4-6-16(7-5-14)22-8-2-1-3-9-23-17-13-20-15(11-19)12-21-17/h4-7,12-13H,1-3,8-9H2
InChIKeyMZNBHPPURLZKBH-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.85
Rot. Bonds8

About 5-[5-(4-cyanophenoxy)pentoxy]pyrazine-2-carbonitrile

5-[5-(4-cyanophenoxy)pentoxy]pyrazine-2-carbonitrile (PubChem CID 148585014) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-[5-(4-cyanophenoxy)pentoxy]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[5-(4-cyanophenoxy)pentoxy]pyrazine-2-carbonitrile
PubChem CID148585014
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name5-[5-(4-cyanophenoxy)pentoxy]pyrazine-2-carbonitrile
SMILESN#Cc1ccc(OCCCCCOc2cnc(C#N)cn2)cc1
InChIInChI=1S/C17H16N4O2/c18-10-14-4-6-16(7-5-14)22-8-2-1-3-9-23-17-13-20-15(11-19)12-21-17/h4-7,12-13H,1-3,8-9H2
InChIKeyMZNBHPPURLZKBH-UHFFFAOYSA-N
XLogP2.85
TPSA91.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile
CID 150538263
4-[4-[7-[4-[4-[7-[4-(4-cyanophenyl)phenoxy]heptoxy]phenyl]phenoxy]heptoxy]phenyl]benzonitrile
CID 15322371
4-[5-[(5-isocyano-2-pyridinyl)oxy]pentoxy]benzonitrile
CID 164761992
4-decoxybenzonitrile
CID 19021371
4-(5-hydroxypentoxy)benzonitrile
CID 62228630
4-(5-butoxypyrazin-2-yl)benzonitrile
CID 71330453
4-[2-[5-[2-(4-heptoxyphenyl)ethynyl]-2-pyridinyl]ethynyl]benzonitrile
CID 58721256
5-[2-(2-ethoxyethoxy)ethoxy]pyrazine-2-carbonitrile
CID 118625764
4-[4-(11-bromoundecoxy)phenyl]benzonitrile
CID 19768950
CID 88918404
CID 88918404
6-(4-cyanophenoxy)hexanoic acid
CID 22388922
4-[4-[7-[2-[7-[4-[4-[7-[2-[7-[4-(4-cyanophenyl)phenoxy]heptoxy]phenoxy]heptoxy]phenyl]phenoxy]heptoxy]phenoxy]heptoxy]phenyl]benzonitrile
CID 102084171

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-cyanophenoxy)pentoxy]pyrazine-2-carbonitrile?
The IUPAC name of 5-[5-(4-cyanophenoxy)pentoxy]pyrazine-2-carbonitrile (CID 148585014) is 5-[5-(4-cyanophenoxy)pentoxy]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[5-(4-cyanophenoxy)pentoxy]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[5-(4-cyanophenoxy)pentoxy]pyrazine-2-carbonitrile is N#Cc1ccc(OCCCCCOc2cnc(C#N)cn2)cc1.
What is the InChIKey of 5-[5-(4-cyanophenoxy)pentoxy]pyrazine-2-carbonitrile?
The InChIKey is MZNBHPPURLZKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-10-14-4-6-16(7-5-14)22-8-2-1-3-9-23-17-13-20-15(11-19)12-21-17/h4-7,12-13H,1-3,8-9H2.
What are the key properties of 5-[5-(4-cyanophenoxy)pentoxy]pyrazine-2-carbonitrile?
5-[5-(4-cyanophenoxy)pentoxy]pyrazine-2-carbonitrile has a molecular weight of 308.34 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-cyanophenoxy)pentoxy]pyrazine-2-carbonitrile is sourced from PubChem (CID 148585014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).