(4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine

C12H13N3S — CID 115860586

IUPAC(4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine
SMILESCSc1ccc(C(N)c2cnccn2)cc1
InChIInChI=1S/C12H13N3S/c1-16-10-4-2-9(3-5-10)12(13)11-8-14-6-7-15-11/h2-8,12H,13H2,1H3
InChIKeyPUXNHPUMFOBVAZ-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.25
Rot. Bonds3

About (4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine

(4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine (PubChem CID 115860586) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine
PubChem CID115860586
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name(4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine
SMILESCSc1ccc(C(N)c2cnccn2)cc1
InChIInChI=1S/C12H13N3S/c1-16-10-4-2-9(3-5-10)12(13)11-8-14-6-7-15-11/h2-8,12H,13H2,1H3
InChIKeyPUXNHPUMFOBVAZ-UHFFFAOYSA-N
XLogP2.25
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propylphenyl)-pyrazin-2-ylmethanamine
CID 62801095
3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine
CID 106848437
[4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine
CID 115860590
(4-cyclobutylphenyl)-pyrazin-2-ylmethanamine
CID 116505926
(3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860386
(4-methylsulfanylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43558943
(4-bromophenyl)-(4-methylsulfanylphenyl)methanamine
CID 79214742
2-(4-bromophenyl)sulfanyl-1-pyrazin-2-ylethanamine
CID 66055692
(R)-pyrazin-2-yl(quinolin-3-yl)methanamine
CID 93358826
(2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine
CID 115858788
[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine
CID 68523327
(5-iodothiophen-3-yl)-pyrazin-2-ylmethanamine
CID 115860644

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine?
The IUPAC name of (4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine (CID 115860586) is (4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine.
What is the SMILES notation for (4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine?
The canonical SMILES for (4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine is CSc1ccc(C(N)c2cnccn2)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine?
The InChIKey is PUXNHPUMFOBVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-16-10-4-2-9(3-5-10)12(13)11-8-14-6-7-15-11/h2-8,12H,13H2,1H3.
What are the key properties of (4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine?
(4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine has a molecular weight of 231.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine is sourced from PubChem (CID 115860586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).