3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile

C15H13N3O — CID 62683859

IUPAC3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCCc2ccccc21
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/h1-2,4,6,8-9,14H,3,5,7H2
InChIKeyNXYZQHKQWNIIEN-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.80
Rot. Bonds2

About 3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile

3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile (PubChem CID 62683859) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile
PubChem CID62683859
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCCc2ccccc21
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/h1-2,4,6,8-9,14H,3,5,7H2
InChIKeyNXYZQHKQWNIIEN-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile
CID 102817746
5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine
CID 79727300
3,5-difluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile
CID 81287430
2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine
CID 62859248
[2-methyl-8-(1,2,3,4-tetrahydronaphthalen-1-yloxy)imidazo[1,2-a]pyrazin-3-yl]methanol
CID 70403650
2-bromo-3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile
CID 107534235
3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile
CID 133342645
5-chloro-N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine
CID 80860332
2-[2-amino-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]acetonitrile
CID 102624855
5-bromo-3-nitro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine
CID 61375305
[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-5-yl]methanamine
CID 83188819
6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine
CID 116797621

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile?
The IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile (CID 62683859) is 3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile is N#Cc1nccnc1OC1CCCc2ccccc21.
What is the InChIKey of 3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile?
The InChIKey is NXYZQHKQWNIIEN-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/h1-2,4,6,8-9,14H,3,5,7H2.
What are the key properties of 3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile?
3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile has a molecular weight of 251.29 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 62683859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).