5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrazine-2-carbonitrile

C15H13N3S — CID 133491170

IUPAC5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(SC2CCCc3ccccc32)cn1
InChIInChI=1S/C15H13N3S/c16-8-12-9-18-15(10-17-12)19-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,9-10,14H,3,5,7H2
InChIKeyXXUYVIHOGIQXDX-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.52
Rot. Bonds2

About 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrazine-2-carbonitrile

5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrazine-2-carbonitrile (PubChem CID 133491170) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrazine-2-carbonitrile
PubChem CID133491170
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(SC2CCCc3ccccc32)cn1
InChIInChI=1S/C15H13N3S/c16-8-12-9-18-15(10-17-12)19-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,9-10,14H,3,5,7H2
InChIKeyXXUYVIHOGIQXDX-UHFFFAOYSA-N
XLogP3.52
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazine-2-carbonitrile
CID 63659094
4-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrimidine-5-carbonitrile
CID 46484122
5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)pyridine-2-carbonitrile
CID 133335142
5-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile
CID 63659452
N,N-diethyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-1,2,4-triazole-1-carboxamide
CID 70276223
3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile
CID 62683859
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile
CID 107544308
2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile
CID 102724073
1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carbonitrile
CID 18975701
4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
CID 67456420
8-phenylsulfanyl-5,6,7,8-tetrahydroquinoline;hydrochloride
CID 14281267
3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 71894610

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrazine-2-carbonitrile (CID 133491170) is 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrazine-2-carbonitrile is N#Cc1cnc(SC2CCCc3ccccc32)cn1.
What is the InChIKey of 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrazine-2-carbonitrile?
The InChIKey is XXUYVIHOGIQXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c16-8-12-9-18-15(10-17-12)19-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,9-10,14H,3,5,7H2.
What are the key properties of 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrazine-2-carbonitrile?
5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrazine-2-carbonitrile has a molecular weight of 267.36 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 133491170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).