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

C15H13N3O — CID 62684225

IUPAC3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H13N3O/c16-10-14-15(18-8-7-17-14)19-13-6-5-11-3-1-2-4-12(11)9-13/h5-9H,1-4H2
InChIKeyADIWZMKCPNZHGW-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.02
Rot. Bonds2

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

3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carbonitrile (PubChem CID 62684225) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carbonitrile
PubChem CID62684225
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H13N3O/c16-10-14-15(18-8-7-17-14)19-13-6-5-11-3-1-2-4-12(11)9-13/h5-9H,1-4H2
InChIKeyADIWZMKCPNZHGW-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-naphthalen-2-yloxypyrazine-2-carbonitrile
CID 60620344
3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile
CID 133342645
3-(4-methoxyphenoxy)pyrazine-2-carbonitrile
CID 2822050
3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile
CID 62672882
3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile
CID 55220356
3-(4-amino-3-methylphenoxy)pyrazine-2-carbonitrile
CID 62672549
3-(4-methylsulfanylphenoxy)pyrazine-2-carbonitrile
CID 62867765
2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid
CID 106502963
3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile
CID 60620396
4-(2,3-dihydro-1H-inden-5-yloxy)pyridine
CID 57051000
[2-(2,3-dihydro-1H-inden-5-yloxy)-3-pyridinyl]methanol
CID 61257544
5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one
CID 114676337

Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carbonitrile?
The IUPAC name of 3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carbonitrile (CID 62684225) is 3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carbonitrile is N#Cc1nccnc1Oc1ccc2c(c1)CCCC2.
What is the InChIKey of 3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carbonitrile?
The InChIKey is ADIWZMKCPNZHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-10-14-15(18-8-7-17-14)19-13-6-5-11-3-1-2-4-12(11)9-13/h5-9H,1-4H2.
What are the key properties of 3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carbonitrile?
3-(5,6,7,8-tetrahydronaphthalen-2-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-2-yloxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 62684225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).