3-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrazin-2-amine

C9H14ClN3S — CID 63959486

IUPAC3-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrazin-2-amine
SMILESCSCC(C)CNc1nccnc1Cl
InChIInChI=1S/C9H14ClN3S/c1-7(6-14-2)5-13-9-8(10)11-3-4-12-9/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyHCJXSXDVSARJJQ-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.54
Rot. Bonds5

About 3-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrazin-2-amine

3-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrazin-2-amine (PubChem CID 63959486) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 3-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrazin-2-amine
PubChem CID63959486
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name3-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrazin-2-amine
SMILESCSCC(C)CNc1nccnc1Cl
InChIInChI=1S/C9H14ClN3S/c1-7(6-14-2)5-13-9-8(10)11-3-4-12-9/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyHCJXSXDVSARJJQ-UHFFFAOYSA-N
XLogP2.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrazin-2-amine?
The IUPAC name of 3-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrazin-2-amine (CID 63959486) is 3-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrazin-2-amine is CSCC(C)CNc1nccnc1Cl.
What is the InChIKey of 3-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrazin-2-amine?
The InChIKey is HCJXSXDVSARJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-7(6-14-2)5-13-9-8(10)11-3-4-12-9/h3-4,7H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 3-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrazin-2-amine?
3-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrazin-2-amine has a molecular weight of 231.75 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrazin-2-amine is sourced from PubChem (CID 63959486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).