8-[(4-chlorophenyl)methylsulfanyl]-N-methylimidazo[1,2-a]pyrazin-6-amine

C14H13ClN4S — CID 114793073

IUPAC8-[(4-chlorophenyl)methylsulfanyl]-N-methylimidazo[1,2-a]pyrazin-6-amine
SMILESCNc1cn2ccnc2c(SCc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H13ClN4S/c1-16-12-8-19-7-6-17-13(19)14(18-12)20-9-10-2-4-11(15)5-3-10/h2-8,16H,9H2,1H3
InChIKeyDZFGLCRJHSAHPJ-UHFFFAOYSA-N
MW304.81 g/mol
LogP3.72
Rot. Bonds4

About 8-[(4-chlorophenyl)methylsulfanyl]-N-methylimidazo[1,2-a]pyrazin-6-amine

8-[(4-chlorophenyl)methylsulfanyl]-N-methylimidazo[1,2-a]pyrazin-6-amine (PubChem CID 114793073) has the molecular formula C14H13ClN4S and a molecular weight of 304.81 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)methylsulfanyl]-N-methylimidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound Name8-[(4-chlorophenyl)methylsulfanyl]-N-methylimidazo[1,2-a]pyrazin-6-amine
PubChem CID114793073
Molecular FormulaC14H13ClN4S
Molecular Weight304.81 g/mol
Exact Mass304.05
IUPAC Name8-[(4-chlorophenyl)methylsulfanyl]-N-methylimidazo[1,2-a]pyrazin-6-amine
SMILESCNc1cn2ccnc2c(SCc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H13ClN4S/c1-16-12-8-19-7-6-17-13(19)14(18-12)20-9-10-2-4-11(15)5-3-10/h2-8,16H,9H2,1H3
InChIKeyDZFGLCRJHSAHPJ-UHFFFAOYSA-N
XLogP3.72
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-N-[(4-ethylphenyl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 106900929
[8-[(2-methylphenyl)methylsulfanyl]imidazo[1,2-a]pyrazin-6-yl]hydrazine
CID 80928932
[8-(2-methylpropylsulfanyl)imidazo[1,2-a]pyrazin-6-yl]hydrazine
CID 80924068
8-[(3-chlorophenyl)methoxy]-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80876547
8-N-(2,2-dimethylpropyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80798027
8-(3,5-dichlorophenoxy)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80875199
N-ethyl-8-(2-methylpropylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 80893173
(8-propan-2-ylsulfanylimidazo[1,2-a]pyrazin-6-yl)hydrazine
CID 80922693
N-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 107765896
8-butan-2-yloxy-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80865039
3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpropan-1-ol
CID 80891200
6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 113488442

Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenyl)methylsulfanyl]-N-methylimidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of 8-[(4-chlorophenyl)methylsulfanyl]-N-methylimidazo[1,2-a]pyrazin-6-amine (CID 114793073) is 8-[(4-chlorophenyl)methylsulfanyl]-N-methylimidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for 8-[(4-chlorophenyl)methylsulfanyl]-N-methylimidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for 8-[(4-chlorophenyl)methylsulfanyl]-N-methylimidazo[1,2-a]pyrazin-6-amine is CNc1cn2ccnc2c(SCc2ccc(Cl)cc2)n1.
What is the InChIKey of 8-[(4-chlorophenyl)methylsulfanyl]-N-methylimidazo[1,2-a]pyrazin-6-amine?
The InChIKey is DZFGLCRJHSAHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4S/c1-16-12-8-19-7-6-17-13(19)14(18-12)20-9-10-2-4-11(15)5-3-10/h2-8,16H,9H2,1H3.
What are the key properties of 8-[(4-chlorophenyl)methylsulfanyl]-N-methylimidazo[1,2-a]pyrazin-6-amine?
8-[(4-chlorophenyl)methylsulfanyl]-N-methylimidazo[1,2-a]pyrazin-6-amine has a molecular weight of 304.81 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenyl)methylsulfanyl]-N-methylimidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 114793073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).