3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile

C15H13N3O — CID 133342645

IUPAC3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1cccc2c1CCCC2
InChIInChI=1S/C15H13N3O/c16-10-13-15(18-9-8-17-13)19-14-7-3-5-11-4-1-2-6-12(11)14/h3,5,7-9H,1-2,4,6H2
InChIKeyBQTXOXKUWLYQBP-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.02
Rot. Bonds2

About 3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile

3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile (PubChem CID 133342645) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile
PubChem CID133342645
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1cccc2c1CCCC2
InChIInChI=1S/C15H13N3O/c16-10-13-15(18-9-8-17-13)19-14-7-3-5-11-4-1-2-6-12(11)14/h3,5,7-9H,1-2,4,6H2
InChIKeyBQTXOXKUWLYQBP-UHFFFAOYSA-N
XLogP3.02
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carbonitrile
CID 62684225
3-(2-hydroxyphenoxy)pyrazine-2-carbonitrile
CID 62685184
3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile
CID 116689023
3-(2-methylsulfanylphenoxy)pyrazine-2-carbonitrile
CID 63649826
4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine
CID 133342660
5-bromo-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine
CID 133342648
3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile
CID 62683859
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
3-(4-methylsulfanylphenoxy)pyrazine-2-carbonitrile
CID 62867765
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
[6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-pyridinyl]methanamine
CID 116820253
3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile
CID 62672685

Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile?
The IUPAC name of 3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile (CID 133342645) is 3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile is N#Cc1nccnc1Oc1cccc2c1CCCC2.
What is the InChIKey of 3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile?
The InChIKey is BQTXOXKUWLYQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-10-13-15(18-9-8-17-13)19-14-7-3-5-11-4-1-2-6-12(11)14/h3,5,7-9H,1-2,4,6H2.
What are the key properties of 3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile?
3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile has a molecular weight of 251.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 133342645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).