[3-(4-bromophenyl)sulfanylpyrazin-2-yl]methanamine

C11H10BrN3S — CID 62685365

IUPAC[3-(4-bromophenyl)sulfanylpyrazin-2-yl]methanamine
SMILESNCc1nccnc1Sc1ccc(Br)cc1
InChIInChI=1S/C11H10BrN3S/c12-8-1-3-9(4-2-8)16-11-10(7-13)14-5-6-15-11/h1-6H,7,13H2
InChIKeyVDTSVOCIHXQIQF-UHFFFAOYSA-N
MW296.19 g/mol
LogP2.85
Rot. Bonds3

About [3-(4-bromophenyl)sulfanylpyrazin-2-yl]methanamine

[3-(4-bromophenyl)sulfanylpyrazin-2-yl]methanamine (PubChem CID 62685365) has the molecular formula C11H10BrN3S and a molecular weight of 296.19 g/mol. Its IUPAC name is [3-(4-bromophenyl)sulfanylpyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(4-bromophenyl)sulfanylpyrazin-2-yl]methanamine
PubChem CID62685365
Molecular FormulaC11H10BrN3S
Molecular Weight296.19 g/mol
Exact Mass294.98
IUPAC Name[3-(4-bromophenyl)sulfanylpyrazin-2-yl]methanamine
SMILESNCc1nccnc1Sc1ccc(Br)cc1
InChIInChI=1S/C11H10BrN3S/c12-8-1-3-9(4-2-8)16-11-10(7-13)14-5-6-15-11/h1-6H,7,13H2
InChIKeyVDTSVOCIHXQIQF-UHFFFAOYSA-N
XLogP2.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-tert-butylphenyl)sulfanylpyrazin-2-yl]methanamine
CID 62685534
3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid
CID 62701775
(3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine
CID 62683489
5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine
CID 80893259
[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazin-2-yl]methanamine
CID 106923706
[3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine
CID 102925265
[3-chloro-2-(4-chlorophenyl)sulfanyl-4-pyridinyl]methanamine
CID 107061145
5-bromo-4-(4-bromophenyl)sulfanylpyrimidine
CID 66320526
[3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine
CID 62685186
(3-cyclopentylsulfanylpyrazin-2-yl)methanamine
CID 63115420
2,3-bis(phenylsulfanyl)pyrazine
CID 86197506
5-(4-bromophenyl)sulfanylpyridin-2-amine
CID 43345331

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)sulfanylpyrazin-2-yl]methanamine?
The IUPAC name of [3-(4-bromophenyl)sulfanylpyrazin-2-yl]methanamine (CID 62685365) is [3-(4-bromophenyl)sulfanylpyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(4-bromophenyl)sulfanylpyrazin-2-yl]methanamine?
The canonical SMILES for [3-(4-bromophenyl)sulfanylpyrazin-2-yl]methanamine is NCc1nccnc1Sc1ccc(Br)cc1.
What is the InChIKey of [3-(4-bromophenyl)sulfanylpyrazin-2-yl]methanamine?
The InChIKey is VDTSVOCIHXQIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3S/c12-8-1-3-9(4-2-8)16-11-10(7-13)14-5-6-15-11/h1-6H,7,13H2.
What are the key properties of [3-(4-bromophenyl)sulfanylpyrazin-2-yl]methanamine?
[3-(4-bromophenyl)sulfanylpyrazin-2-yl]methanamine has a molecular weight of 296.19 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)sulfanylpyrazin-2-yl]methanamine is sourced from PubChem (CID 62685365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).