5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile;ethane

C14H12ClN7O — CID 155585122

IUPAC5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile;ethane
SMILESCC.N#Cc1cnc(Nc2nc(-c3ccc(Cl)cn3)no2)cn1
InChIInChI=1S/C12H6ClN7O.C2H6/c13-7-1-2-9(16-4-7)11-19-12(21-20-11)18-10-6-15-8(3-14)5-17-10;1-2/h1-2,4-6H,(H,17,18,19,20);1-2H3
InChIKeyQSLBFRWFHYCSLP-UHFFFAOYSA-N
MW329.75 g/mol
LogP3.22
Rot. Bonds3

About 5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile;ethane

5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile;ethane (PubChem CID 155585122) has the molecular formula C14H12ClN7O and a molecular weight of 329.75 g/mol. Its IUPAC name is 5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile;ethane.

Molecular Properties

Compound Name5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile;ethane
PubChem CID155585122
Molecular FormulaC14H12ClN7O
Molecular Weight329.75 g/mol
Exact Mass329.08
IUPAC Name5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile;ethane
SMILESCC.N#Cc1cnc(Nc2nc(-c3ccc(Cl)cn3)no2)cn1
InChIInChI=1S/C12H6ClN7O.C2H6/c13-7-1-2-9(16-4-7)11-19-12(21-20-11)18-10-6-15-8(3-14)5-17-10;1-2/h1-2,4-6H,(H,17,18,19,20);1-2H3
InChIKeyQSLBFRWFHYCSLP-UHFFFAOYSA-N
XLogP3.22
TPSA113.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile;ethane 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-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
CID 155585270
4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106526177
4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile
CID 106526186
5-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]pyrazine-2-carbonitrile
CID 124571734
5-[2-[(5-chloro-2-pyridinyl)oxy]ethylamino]pyrazine-2-carbonitrile
CID 133491517
5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile
CID 63658175
5-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
CID 155585153
4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503410
2-chloro-6-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107051015
2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430644
5-(3,5-dimethylanilino)pyrazine-2-carbonitrile
CID 63658538
5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile
CID 79770667

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile;ethane?
The IUPAC name of 5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile;ethane (CID 155585122) is 5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile;ethane.
What is the SMILES notation for 5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile;ethane?
The canonical SMILES for 5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile;ethane is CC.N#Cc1cnc(Nc2nc(-c3ccc(Cl)cn3)no2)cn1.
What is the InChIKey of 5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile;ethane?
The InChIKey is QSLBFRWFHYCSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClN7O.C2H6/c13-7-1-2-9(16-4-7)11-19-12(21-20-11)18-10-6-15-8(3-14)5-17-10;1-2/h1-2,4-6H,(H,17,18,19,20);1-2H3.
What are the key properties of 5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile;ethane?
5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile;ethane has a molecular weight of 329.75 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile;ethane is sourced from PubChem (CID 155585122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).