3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile

C12H9ClN4O — CID 62684861

IUPAC3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile
SMILESCOc1ccc(Cl)cc1Nc1nccnc1C#N
InChIInChI=1S/C12H9ClN4O/c1-18-11-3-2-8(13)6-9(11)17-12-10(7-14)15-4-5-16-12/h2-6H,1H3,(H,16,17)
InChIKeyCBBNXJOOZRBNKG-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.75
Rot. Bonds3

About 3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile

3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile (PubChem CID 62684861) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile
PubChem CID62684861
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile
SMILESCOc1ccc(Cl)cc1Nc1nccnc1C#N
InChIInChI=1S/C12H9ClN4O/c1-18-11-3-2-8(13)6-9(11)17-12-10(7-14)15-4-5-16-12/h2-6H,1H3,(H,16,17)
InChIKeyCBBNXJOOZRBNKG-UHFFFAOYSA-N
XLogP2.75
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-chloro-2-methoxyanilino)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

3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine
CID 102985025
5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile
CID 54860696
3-(2-chloro-5-methylanilino)pyrazine-2-carbonitrile
CID 107635174
4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzonitrile
CID 81283320
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
CID 79632991
N-(5-chloro-2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 110435164
8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 53260636
1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one
CID 178064932
3-[3-(2,4-dichlorophenoxy)propylamino]pyrazine-2-carbonitrile
CID 133284498
3-(3-methoxyanilino)pyrazine-2-carbonitrile
CID 62685033
5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970535
2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile
CID 107106329

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile (CID 62684861) is 3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile is COc1ccc(Cl)cc1Nc1nccnc1C#N.
What is the InChIKey of 3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile?
The InChIKey is CBBNXJOOZRBNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c1-18-11-3-2-8(13)6-9(11)17-12-10(7-14)15-4-5-16-12/h2-6H,1H3,(H,16,17).
What are the key properties of 3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile?
3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile has a molecular weight of 260.68 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile is sourced from PubChem (CID 62684861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).